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Simazine

PubChem CID
5216
Structure
Simazine_small.png
Simazine_3D_Structure.png
Simazine__Crystal_Structure.png
Molecular Formula
Synonyms
  • simazine
  • 122-34-9
  • Gesatop
  • Princep
  • Simanex
Molecular Weight
201.66 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2004-09-16
  • Modify:
    2025-01-18
Description
Simazine can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
Simazine is a white to off-white crystalline powder. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Simazine is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Simazine.png

1.2 3D Conformer

1.3 Crystal Structures

COD Number
Associated Article
Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.. Persistence of a self-complementary N–H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour. CrystEngComm 2016;18(6):962-. DOI: 10.1039/C5CE02206A
Crystal Structure Depiction
Crystal Structure Depiction
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Space group number
14
a
4.4390 Å
b
11.980 Å
c
17.852 Å
α
90 °
β
94.04 °
γ
90 °
Z
4
Z'
1
Residual factor
0.0455

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

ODCWYMIRDDJXKW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

CCNC1=NC(=NC(=N1)Cl)NCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C7H12ClN5
Computed by PubChem 2.2 (PubChem release 2021.10.14)

C7H12ClN5

CH3CH2NH(C3N3Cl)NHCH2CH3

2.3 Other Identifiers

2.3.1 CAS

122-34-9

2.3.2 Deprecated CAS

11141-20-1, 119603-94-0, 12764-71-5, 39291-64-0
11141-20-1, 12764-71-5, 39291-64-0

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 UN Number

2.3.6 ChEBI ID

2.3.7 ChEMBL ID

2.3.8 DSSTox Substance ID

2.3.9 HMDB ID

2.3.10 ICSC Number

2.3.11 KEGG ID

2.3.12 Metabolomics Workbench ID

2.3.13 Nikkaji Number

2.3.14 NSC Number

2.3.15 Wikidata

2.3.16 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • Herbazin 50
  • Herbazin-50
  • Herbazin50
  • Simazine

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
201.66 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
2.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
201.0781231 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
201.0781231 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
62.7 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
131
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Simazine is a white to off-white crystalline powder. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Colorless to white crystals; [EXTOXNET]
WHITE CRYSTALLINE POWDER.
White to off-white crystalline powder.

3.2.2 Color / Form

White solid
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 998
Colorless powder
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
Crystals from ethanol or methyl Cellosolve
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1528

3.2.3 Melting Point

437 to 441 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
225 to 227 °C (decomp)
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
437-441 °F

3.2.4 Solubility

less than 1 mg/mL at 72 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
400 PPM IN METHANOL @ 20 °C
Hayes, Wayland J., Jr. Pesticides Studied in Man. Baltimore/London: Williams and Wilkins, 1982., p. 564
3.0 ppm in n-pentane at 25 °C
Ahrens, W.H. Herbicide Handbook of the Weed Science Society of America. 7th ed. Champaign, IL: Weed Science Society of America, 1994., p. 270
Slightly sol in ethyl cellosolve, dioxane
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1528
In water, 6.2 mg/L (pH 7, 20 °C)
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
In ethanol 570, acetone 1500, toluene 130, n-octanol 390, n-hexane 3.1 (all in mg/L, 25 °C).
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
Solubility in water: none

3.2.5 Density

1.302 at 68 °F (NTP, 1992) - Denser than water; will sink
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
1.33 at 22 °C /as per source/
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
1.3 g/cm³
1.302

3.2.6 Vapor Pressure

6.1e-09 mmHg at 68 °F (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
0.00000002 [mmHg]
2.2X10-8 mm Hg at 25 °C
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
Vapor pressure, Pa at 20 °C: 8.1x10
6.1x10(-9)

3.2.7 LogP

log Kow = 2.18
Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 34
2.1

3.2.8 Stability / Shelf Life

VERY STABLE OVER SEVERAL YR OF SHELF LIFE, & ONLY SLIGHTLY SENSITIVE TO NATURAL LIGHT & EXTREME TEMPERATURES WHICH WOULD OCCUR NORMALLY.
Weed Science Society of America. Herbicide Handbook. 5th ed. Champaign, Illinois: Weed Science Society of America, 1983., p. 435
Aquazine, Princep 4G, Princep 4L, Princep 80W, Princep Caliber 90 /have a/ half life of at least 3 to 5 yr when stored in a dry place.
Farm Chemicals Handbook 1989. Willoughby, OH: Meister Publishing Co., 1989., p. C-262

3.2.9 Decomposition

When heated to decomposition it emits very toxic fumes of /hydrogen chloride/ and nitrous oxides.
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 456
225-227 °C

3.2.10 Ionization Efficiency

Ionization mode
Positive
logIE
3.65
pH
2.7
Instrument
Agilent XCT
Ion source
Electrospray ionization
Additive
formic acid (5.3nM)
Organic modifier
MeCN (80%)

3.2.11 Dissociation Constants

pKa = 1.62 at 20 °C
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106746

3.2.12 Collision Cross Section

142.09 Ų [M+H]+ [CCS Type: TW]
143 Ų [M+H]+
S61 | UJICCSLIB | Collision Cross Section (CCS) Library from UJI | DOI:10.5281/zenodo.3549476

3.2.13 Kovats Retention Index

Standard non-polar
1714 , 1690 , 1704 , 1720 , 1711 , 1722 , 1723 , 1690 , 1723 , 1709.5 , 1702.3 , 1713.6 , 1749 , 1730.8 , 1701.9 , 1690 , 1708.7
Semi-standard non-polar
1743 , 1748 , 1741 , 1745 , 1748 , 1751 , 1744 , 1748 , 1728.1 , 1745 , 1706.4 , 1729 , 1745.4 , 1725.2 , 1724.5 , 1747.7 , 1740 , 1755 , 1721.1 , 1724.9 , 1750.7 , 1720 , 1736.5 , 1723.7 , 1741.8 , 1728.7 , 1724.8 , 1723.3 , 1726.2 , 1741.5 , 1749 , 293.57
Standard polar
2806 , 2834 , 2806 , 2806 , 2872 , 2872

3.2.14 Other Experimental Properties

Relatively stable in neutral, weakly acidic and weakly alkaline media. Rapidly hydrolyzed by stronger acids and bases; calculated half-lives: 8.8 days at pH 1, 3.7 days at pH 13 (20 °C). Decomposed by UV irradiation (approx. 90% in 96 hr).
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
Hydroxyl radical reaction rate constant = 1.1X10-11 cu cm/molec-sec at 25 °C
Palm WU et al; Ecotoxicol Environ Safety 41: 36-43 (1998)

3.3 SpringerMaterials Properties

3.4 Chemical Classes

3.4.1 Endocrine Disruptors

Potential endocrine disrupting compound
S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198

3.4.2 Pesticides

Herbicides
S69 | LUXPEST | Pesticide Screening List for Luxembourg | DOI:10.5281/zenodo.3862688
Active substance -> EU Pesticides database: Not approved
Pesticides -> Herbicides, Triazine
Pesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448
Environmental transformation -> Pesticides (parent, predecessor)
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
Pesticide (Simazine) -> USDA PDB
Pesticide

4 Spectral Information

4.1 Mass Spectrometry

4.1.1 GC-MS

1 of 8
View All
MoNA ID
MS Category
Experimental
MS Type
GC-MS
MS Level
MS1
Instrument
JEOL JMS-DX-303
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

201 99.99

186 61.77

173 42.63

203 35.97

44 29.66

Thumbnail
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License
CC BY-NC-SA
2 of 8
View All
NIST Number
125493
Library
Main library
Total Peaks
138
m/z Top Peak
201
m/z 2nd Highest
44
m/z 3rd Highest
186
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4.1.2 MS-MS

1 of 10
View All
Spectra ID
Ionization Mode
Positive
Top 5 Peaks

202.0853 100

132.0322 68.87

124.0869 67.47

96.0556 23.02

104.0009 17.52

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2 of 10
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Spectra ID
Ionization Mode
Positive
Top 5 Peaks
202.0855 100
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4.1.3 LC-MS

1 of 70
View All
Authors
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
Instrument
Bruker maXis Impact
Instrument Type
LC-ESI-QTOF
MS Level
MS2
Ionization Mode
POSITIVE
Ionization
ESI
Collision Energy
40 eV
Fragmentation Mode
CID
Column Name
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
Retention Time
7.439 min
Precursor m/z
202.0854
Precursor Adduct
[M+H]+
Top 5 Peaks

145.0635 999

146.0664 109

144.0552 76

131.048 7

147.0705 7

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License
CC BY
2 of 70
View All
Authors
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
Instrument
Bruker maXis Impact
Instrument Type
LC-ESI-QTOF
MS Level
MS2
Ionization Mode
POSITIVE
Ionization
ESI
Collision Energy
20 eV
Fragmentation Mode
CID
Column Name
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
Retention Time
6.9 min
Precursor m/z
202.0854
Precursor Adduct
[M+H]+
Top 5 Peaks

202.0848 999

132.0315 326

124.0859 243

204.082 224

174.0534 140

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License
CC BY-SA

4.1.4 MALDI

Authors
JEOL Ltd.
Instrument
JMS-S3000
Instrument Type
MALDI-TOFTOF
MS Level
MS2
Ionization Mode
POSITIVE
Precursor m/z
202.0854
Top 5 Peaks

27.12737 999

29.14479 973

68.14196 856

28.12367 854

43.13575 844

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License
CC BY-NC-SA

4.1.5 Other MS

1 of 2
Authors
UOEH
Instrument
JEOL JMS-DX-303
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 70 eV
Top 5 Peaks

201 999

186 618

173 426

203 360

44 297

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Thumbnail
License
CC BY-NC-SA
2 of 2
MoNA ID
MS Category
Experimental
MS Type
Other
MS Level
MS2
Precursor Type
[M+H]+
Precursor m/z
202.0854
Instrument
JMS-S3000
Instrument Type
MALDI-TOFTOF
Ionization Mode
positive
Top 5 Peaks

27.12737 100

29.14479 97.43

68.14196 85.68

28.12367 85.49

43.13575 84.44

Thumbnail
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License
CC BY-NC-SA

4.2 UV Spectra

4.2.1 UV-VIS Spectra

Copyright
Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.3 IR Spectra

4.3.1 FTIR Spectra

1 of 2
Technique
KBr WAFER
Source of Sample
Pesticides Repository, U.S. Public Health Service
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Technique
KBr WAFER
Source of Sample
Riedel-De Haen AG
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.3.2 ATR-IR Spectra

Instrument Name
Bio-Rad FTS
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Forensic Spectral Research
Source of Sample
Fluka, Sigma-Aldrich Company Llc.
Catalog Number
32059
Lot Number
SZBC199XV
Copyright
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.3.3 Vapor Phase IR Spectra

Instrument Name
DIGILAB FTS-14
Technique
Vapor Phase
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.4 Raman Spectra

Technique
FT-Raman
Source of Spectrum
Forensic Spectral Research
Source of Sample
Fluka, Sigma-Aldrich Company Llc.
Catalog Number
32059
Lot Number
SZBC199XV
Copyright
Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
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4.5 Other Spectra

Intense mass spectral peaks: 44 m/z (100%), 201 m/z (78%), 186 m/z (51%), 43 m/z (51%)
Hites, R.A. Handbook of Mass Spectra of Environmental Contaminants. Boca Raton, FL: CRC Press Inc., 1985., p. 255
Intense mass spectral peaks: 72 m/z, 84 m/z, 173 m/z
Pfleger, K., H. Maurer and A. Weber. Mass Spectral and GC Data of Drugs, Poisons and their Metabolites. Parts I and II. Mass Spectra Indexes. Weinheim, Federal Republic of Germany. 1985., p. 303

6 Chemical Vendors

7 Food Additives and Ingredients

7.1 Associated Foods

8 Agrochemical Information

8.1 Agrochemical Category

Herbicide
Pesticide active substances -> Herbicides
Pesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448
Herbicides
S69 | LUXPEST | Pesticide Screening List for Luxembourg | DOI:10.5281/zenodo.3862688

8.2 Agrochemical Transformations

Simazine has known environmental transformation products that include 6-deisopropyl atrazine and 2-hydroxy-4,6-bis(ethlyamino)-S-triazine.
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
Simazine has known environmental transformation products that include Simazine-2-hydroxy and Atrazine-desisopropyl.
S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

8.3 EU Pesticides Data

Active Substance
simazine
Status
Not approved [Reg. (EC) No 1107/2009]
Legislation
04/247/EC

8.4 USDA Pesticide Data Program

9 Pharmacology and Biochemistry

9.1 MeSH Pharmacological Classification

Herbicides
Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE. (See all compounds classified as Herbicides.)

9.2 Absorption, Distribution and Excretion

At the low dose (0.5 mg/kg) of radiolabeled simazine, the principal route of excretion was via the urine, however, at the higher dose (200 mg/kg) the principal route of excretion was via the feces. Significant radioactive residues remained in the tissues of the rat for extended periods of time. Results indicate that 94 to 99% of the elimination of radioactive material occurred within 48 to 72 hours with a half-life of 9 to 15 hours. Elimination of the remaining radioactivity exhibited 21- to 32-hour half-life values. Heart, lung, spleen, kidney, and liver appear to be principal sites of retention of radioactivity. However, erythrocytes concentrated radioactivity to higher levels than did other tissues, perhaps due to high affinity of the triazine ring for cysteine residues of hemoglobin, a phenomenon apparently unique to rodent species.
US EPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.31 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
In a dermal absorption study, male Charles River Sprague-Dawley rats received either 0.1, 0.5 mg/sq cm of 14C-simazine ( two vials used: radiochemical purity: 98% for the low dose and 96%, for the high dose, specific activity: 28.0 uCi/mg and 2.4 uCi/mg). Four animals per dose were treated and then the treated area of skin and the surrounding area were covered with a protective device. Animals were then placed in metabolism cages for the duration of the exposure period. Either 2, 4, 10 or 24 hrs following exposure animals were sacrificed. Following sacrifice the exposure sites were washed with liquid Dove and water and both the treated area of skin and skin surrounding the treated area (the skin covered by the protective device) were collected. The soap and water rinses, the skin samples, urine, feces, blood, carcass, cage wash, and other relevant samples were all analyzed for radioactivity. Dermal absorption was less than 1% at both doses and all time points. However, 11-20% of the low dose and 31-41% of the high dose remained on the skin and is thus potentially absorbable.
US EPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.42 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
/Simazine is/ absorbed mostly through plant roots with little or no foliar penetration. It has low adhering ability and is readily washed from foliage by rain. Following root absorption it is translocated acropetally in the xylem, accumulating in apical meristems and leaves of plants.
Weed Science Society of America. Herbicide Handbook. 5th ed. Champaign, Illinois: Weed Science Society of America, 1983., p. 435
Simazine was readily absorbed and distributed in spruce seedlings. Degradation of simazine took place in roots and stem to the hydroxy analog... metabolites, but no simazine, were observed in needles.
Menzie, C. M. Metabolism of Pesticides, An Update. U.S. Department of the Interior, Fish, Wild-life Service, Special Scientific Report - Wildlife No. 184, Washington, DC: U.S. Government Printing Office, l974., p. 367
For more Absorption, Distribution and Excretion (Complete) data for SIMAZINE (8 total), please visit the HSDB record page.

9.3 Metabolism / Metabolites

Simazine is metabolized and excreted in the rat within 72 hours of dosing. Most of the excreted simazine residues were detected in the urine (49%) and feces (41%) with minor amounts respired as CO2. Simazine is metabolized in the rat through the removal of alkyl side chains and conjugation of the triazine ring with glutathione-S-transferase. The mono- and di-dealkylated compounds, 2-chloro-4-ethylamino- 6-amino-s-triazine and diaminochlorotriazine (DACT), respectively, are the major rat degradates. Conjugated mercapturates of hydroxy simazine were also detected.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.15 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
The metabolic pathway in plants is similar to that in rats. Plant metabolism occurs via several competing routes. In one major route the N-ethyl groups are cleaved leaving the bare amine attached to the ring. First one ethyl group is lost, then both are lost, ultimately leaving diaminochlorotriazine (DACT). DACT can subsequently proceed to replacement of the chlorine with a proline group, which is attached to the triazine via the proline nitrogen. In a second major route of metabolism, the chloro group on simazine is replaced by a hydroxy group to hydroxysimazine, which can proceed by loss of the ethyl groups to diaminohydroxytriazine, the hydroxy equivalent of DACT. The diaminohydroxytriazine can then under go replacement of one or both amines by hydroxy groups ultimately leading to cyanuric acid. Alternatively, the chlorine in simazine can be replaced by glutathione and through a variety of intermediate conjugates can be eventually lysed to NH2-simazine, and then presumably loss of one or both ethyl groups.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED) Document ID: EPA-HQ-OPP-2005-0151-0023 p.15 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
The metabolic pathway in livestock is also similar to that in plants and rats with one exception; animals do not metabolize simazine directly to hydroxy-simazine, but animals may receive hydroxy simazine through feeds. Several studies have been performed on the metabolism of simazine in livestock and poultry. In animals, in general, simazine residues tend to lose one or both ethyl groups to form the chloro-metabolites or to replace the chloro- group with a hydroxygroup and then to lose one of both ethyl groups. Feeding with hydroxy-simazine leads to formation, through loss of one or both ethyl groups of hydroxy-metabolites only. A glutathione conjugate is also formed from the hydroxy-simazine.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.15 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
Ruminants. In a goat dosed for 10 days with [14C]simazine at a dose equivalent of 5 ppm [12x the maximum theoretical dietary burden (MTDB)], total radioactive residue (TRR) in milk plateaued by Day 5 at 0.10 ppm. TRR in tissue samples collected 48 hours after the final dose ranged from 0.02 ppm in fat to 0.93 ppm in liver. After residues plateaued in milk (at 2% of the administered dose), the major metabolite in milk (23.5% TRR) was identified as diaminochlorotriazine, along with minor amounts (0.25% TRR) of simazine and of desethylsimazine (1.3% TRR). Metabolites in the aqueous fraction and the hydrolysate of the casein fraction were characterized as amino acid and peptide conjugates of simazine. In another study, a goat was dosed for 7 days with [14C]simazine at a dose equivalent to 50 ppm in the diet (119x). TRR in milk ranged from 0.71-1.07 ppm during the 7-day dosing period. TRR in tissues collected within 24 hours of the final dose were 0.06-0.10 ppm in fat, 0.69-0.71 ppm in muscle, 3.03 ppm in kidneys, 2.59 ppm in brain, 0.78 ppm in heart, and 3.24 ppm in liver. Components of the TRR identified in milk and tissues are listed in the table below. Simazine accounted for 3.8-10.8% of the TRR in tissues, but was not detected in milk. DACT was the major metabolite in milk (30.3% TRR) and accounted for 4.2-5.2% TRR in liver and kidney, and 13.8% TRR in muscle. Desethylsimazine was detected in liver and kidney at 10.7-16.9% TRR, but was not detected in muscle and milk. A glutathione conjugate of desethylsimazine was also tentatively identified in kidney (18.7% TRR) and milk (14.9% TRR). Desethylhydroxy-simazine constituted up to 32.9% of the TRR in liver, but may have been an artifact of proteolysis.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED); Document ID: EPA-HQ-OPP-2005-0151-0023 p.16 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
For more Metabolism/Metabolites (Complete) data for SIMAZINE (13 total), please visit the HSDB record page.
Simazine has known human metabolites that include N-Desethylsimazine.
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

9.4 Biological Half-Life

Results indicate that /in rats/ 94 to 99% of the elimination of radioactive material occurred within 48 to 72 hours with a half-life of 9 to 15 hours. Elimination of the remaining radioactivity exhibited 21- to 32-hour half-life values.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.31 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main

9.5 Mechanism of Action

The underlying mechanism of the neuroendocrine and neuroendocrine-related changes associated with atrazine and similar triazines involves the disruption of the hypothalamic-pituitary-gonadal (HPG) axis .... Specifically, several triazines can alter hypothalamic gonadotrophin-releasing hormone (GnRH) and catecholamine (dopamine and norepinephrine) levels. In both humans and rats, hypothalamic GnRH controls pituitary hormone secretion, i.e., LH and PRL. The result of changes in GnRH and catecholamines in turn leads to alterations in pituitary LH and PRL secretion. The hypothalamic-pituitary axis is involved in the development of the reproductive system, and its maintenance and functioning in adulthood. Additionally, reproductive hormones modulate the function of numerous other metabolic processes (i.e., bone formation, and immune, central nervous system (CNS) and cardiovascular systems.
USEPA/Office of Pesticides Programs, Health Effects Division; Cumulative Risk from Triazine Pesticides. p.13 (March 2006).
After subchronic and chronic exposure to simazine, a variety of species were shown to exhibit neuroendocrine effects resulting in both reproductive and developmental consequences that are considered relevant to humans. These effects are biomarkers of a neuroendocrine mechanism of toxicity that is shared by several other structurally-related chlorinated triazines including atrazine, propazine, and three chlorinated degradates -des-isopropyl atrazine or DIA, and des-ethyl atrazine or DEA, and iaminochlorotriazine or DACT - the first and last of which can result from the degradation of simazine. These six compounds disrupt the hypothalamic-pituitary-gonadal (HPG) axis, part of the central nervous system, causing cascading changes to hormone levels and developmental delays. These neuroendocrine effects are considered the primary toxicological effects of regulatory concern for all subchronic and chronic exposure scenarios including dietary risk from food and drinking water, residential risk, and occupational risk. Simazine's two chlorinated degradates, DIA and DACT, are considered to have toxicity equal to the parent compound in respect to their common neuroendocrine mechanism of toxicity. Another degradate, hydroxy-simazine, was identified, which is expected to have a different toxicological profile from simazine based on the toxicological data available for an analogous metabolite for atrazine, hydroxy-atrazine.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.14. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
Simazine has been grouped with several structurally-related, chlorinated triazines (e.g., atrazine, propazine, and 3 chlorotriazine degradates common to atrazine, simazine and propazine) on the basis of a common mechanism of toxicity for disruption of the hypothalamic-pituitary-gonadal (HPG) axis. As a result of their common mechanism of toxicity, exposure to simazine, like exposure to atrazine, results in reproductive and developmental effects and consequences that are considered relevant to humans. ...This mechanism involves a central nervous system (CNS) toxicity, specifically, neurotransmitter and neuropeptide alterations at the level of the hypothalamus, which cause cascading changes to hormone levels, e.g., suppression of the luteinizing hormone surge prior to ovulation resulting in prolonged estrus in adult female rats (demonstrated with atrazine and simazine), and developmental delays, i.e., delayed vaginal opening and preputial separation in developing rats (studied in atrazine but not simazine). ...This CNS mechanism of toxicity also results in mammary tumors specific to female Sprague- Dawley rats exposed to simazine and atrazine; however, the particular cascade of events leading to tumor formation in this specific strain of rat is not considered to be operative in humans. Consequently, atrazine has been classified as "Not Likely to be Carcinogenic to Humans."
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED), Document ID: EPA-HQ-OPP-2005-0151-0023 p.24 (May 31, 2005). Available from, as of June 6, 2007: https://www.regulations.gov/fdmspublic/component/main
Various investigations indicate that the ability of triazines to interfere with photosynthesis is responsible for their biological activity. Simazine depletes carbohydrate by inhibiting the formation of sugars. The triazines inhibit the Hill reaction, ie, the formation of oxygen by chloroplasts of certain plants in the presence of light & ferric salts.
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. 12 317 (1980)
For more Mechanism of Action (Complete) data for SIMAZINE (7 total), please visit the HSDB record page.

9.6 Transformations

10 Use and Manufacturing

10.1 Uses

EPA CPDat Chemical and Product Categories
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125
Sources/Uses
Used as a broadleaf herbicide; [EXTOXNET] Inhibits photosynthesis in weeds after application to soil; Used in crops (apples, oranges, almonds, corn), lawns, and in ponds and aquariums (algicide); [ACGIH]
ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.
Industrial Processes with risk of exposure
Farming (Pesticides) [Category: Industry]
For simazine (USEPA/OPP Pesticide Code: 80807) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
National Pesticide Information Retrieval System's USEPA/OPP Chemical Ingredients Database on Simazine (122-34-9). Available from, as of May 23, 2007: https://npirspublic.ceris.purdue.edu/ppis/
Simazine is a selective herbicide used for control of broadleaf weeds and annual grasses in corn, established alfalfa, fruit, nuts, asparagus, ornamentals, and turf.
Krieger, R. (ed.). Handbook of Pesticide Toxicology. Volume 1, 2nd ed. 2001. Academic Press, San Diego, California., p. 327
Selective systemic herbicide. Control of most germinating annual grasses and broad-leaved weeds.
Tomlin, C.D.S. (ed.). The Pesticide Manual - World Compendium, 11 th ed., British Crop Protection Council, Surrey, England 1997, p. 1106
Simazine is also used for selective control of algae and submerged weeds in ponds. It is approved for algae control in swimming pools, large aquaria, ornamental fish ponds, fountains, and recirculating water cooling towers.
Humburg, N.E. (ed.). Herbicide Handbook of the Weed Science Society of America. 6th ed. Champaign, IL: Weed Science Society of America, 1989., p. 236
For more Uses (Complete) data for SIMAZINE (7 total), please visit the HSDB record page.
This is a man-made compound that is used as a pesticide.

10.1.1 Use Classification

Hazard Classes and Categories ->
Environmental transformation -> Pesticides (parent, predecessor)
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
Pesticides -> Herbicides -> Triazine herbicides -> Chlorotriazine herbicides
S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448
Herbicides
S69 | LUXPEST | Pesticide Screening List for Luxembourg | DOI:10.5281/zenodo.3862688

10.1.2 Household Products

Household & Commercial/Institutional Products

Information on 2 consumer products that contain Simazine in the following categories is provided:

• Pet Care

10.2 Methods of Manufacturing

Simazine is made by the reaction of cyanuric chloride with two equivalents of ethylamine in presence of an acid acceptor.
Sittig, M. (ed.) Pesticide Manufacturing and Toxic Materials Control Encyclopedia. Park Ridge, NJ: Noyes Data Corporation. 1980., p. 673

10.3 Formulations / Preparations

MILLER SIMAZINE 4% GRANULES HERBICIDE Active Ingredient 4.00% Simazine
National Pesticide Information Retrieval System's USEPA/OPP Chemical Ingredients Database on Simazine (122-34-9). Available from, as of May 23, 2007: https://npirspublic.ceris.purdue.edu/ppis/
PRINCEP 4L HERBICIDE Active Ingredient 41.90% Simazine: SIMAZINE TECHNICAL Active Ingredient 97.00% Simazine; PRINCEP CALIBER 90 HERBICIDE Active Ingredient 90.00% Simazine
National Pesticide Information Retrieval System's USEPA/OPP Chemical Ingredients Database on Simazine (122-34-9). Available from, as of May 23, 2007: https://npirspublic.ceris.purdue.edu/ppis/
ALLPRO BARACIDE 5PS PELLETED HERBICIDE Active Ingredients 40.00% Sodium metaborate (NaBO2), 39.80% Sodium chlorate, 5.00% Prometon, and 0.7600% Simazine
National Pesticide Information Retrieval System's USEPA/OPP Chemical Ingredients Database on Simazine (122-34-9). Available from, as of May 23, 2007: https://npirspublic.ceris.purdue.edu/ppis/
ALCO SIMAZINE Active Ingredient 4.00% Simazine; 101 BRAND SIMAZINE 4G GRANULAR HERBICIDE Active Ingredient 4.00% Simazine
National Pesticide Information Retrieval System's USEPA/OPP Chemical Ingredients Database on Simazine (122-34-9). Available from, as of May 23, 2007: https://npirspublic.ceris.purdue.edu/ppis/
For more Formulations/Preparations (Complete) data for SIMAZINE (18 total), please visit the HSDB record page.

10.4 Consumption Patterns

HERBICIDE, OF WHICH APPROXIMATELY 49% IS USED ON CORN, 8% ON CITRUS, 6% ON DECIDUOUS FRUITS, 5% ON FIELD CROPS, 3% ON VEGETABLES, 17% FOR INDUSTRIAL/COMMERCIAL USES, & 13% FOR AQUATIC USES (1975)
SRI
Estimated noncropland use of simazine: 1.925 to 3.300 million lbs AI/yr. National use of simazine by crop in 1987/89, lbs AI/yr: alfalfa, 420,348; almonds, 85,537; apples, 140,515; artichokes, 5,878; asparagus, 93,709; avocados, 43,355; blueberries, 30,767; cherries, 20,538; corn, 1,552,755; cranberries, 1,488; filberts, 3,447; grapes, 290,296; nectarines, 4,374; olives, 6,653; peaches, 66,846; pears, 12,051; pecans, 60,207; plums, 1,039; pomegranates, 1,380; raspberries, 4,409; seed crops, 186,535; strawberries, 8,165; and walnuts, 63,149.
Gianessi LP, Puffer C; Herbicide Use in the United States, Resources for the Future, Inc., Washington, DC: Qual Environ Div (1990)
In 1993, 91% of the total 1,129,947 pounds was applied to grape, citrus, fruit and nut crops, and right-of-ways.
California EPA; California EPA, Dept Pesticide Regulation, 10th Annual Report (1995)
In 1989, 1982, 1976, 1971, and 1966, approx. 3.964X10+6, 3.975X10+6, 3.253X10+6, 1.738X10+6, and 1.93X10+5 lbs. AI/yr, respectively, were used in U.S. agriculture.
Gianessi LP; US Pesticide Use Trends: 1966-1989, Resources for the Future, Washington, DC (1992)
For more Consumption Patterns (Complete) data for SIMAZINE (6 total), please visit the HSDB record page.

10.5 U.S. Production

(1975) 3.54X10+9 G (CONSUMPTION)
SRI
(1976) PROBABLY GREATER THAN 2.27X10+6 G
SRI
Production volumes for non-confidential chemicals reported under the Inventory Update Rule.
Year
1986
Production Range (pounds)
>1 million - 10 million
Year
1990
Production Range (pounds)
>1 million - 10 million
Year
1994
Production Range (pounds)
>10 million - 50 million
Year
1998
Production Range (pounds)
No Reports
Year
2002
Production Range (pounds)
No Reports
US EPA; Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl- (122-34-9). Available from, as of May 1, 2007: https://www.epa.gov/oppt/iur/tools/data/2002-vol.html
This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. Available from, as of May 3, 2007: https://www.epa.gov/hpv/pubs/general/opptsrch.htm

10.6 General Manufacturing Information

EPA TSCA Commercial Activity Status
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-: ACTIVE
The WHO Recommended Classification of Pesticides by Hazard identifies Simazine (technical grade) as unlikely to present an acute hazard in normal use; Main Use: herbicide.
WHO (2005) The WHO Recommended Classification of Pesticides by Hazard and Guidelines to Classification 2004, International Programme on Chemical Safety, p.35
End-use products containing simazine may be applied on the ground by broadcast across an area, as a spot treatment, or in rows, which is also referred to as band treatment. Some products can also be applied by aerial broadcast. ... For agricultural uses, the maximum use or application rates range from 1 to 9.6 pounds active ingredient per acre (lbs ai/A). For noncrop land, maximum application rates are 40 lbs ai/A, and for use specifically on turfgrass, 4 lbs ai/ A.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.12. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
COMPATIBLE WITH MOST OTHER PESTICIDES & FERTILIZERS WHEN USED @ NORMAL RATES.
Humburg, N.E. (ed.). Herbicide Handbook of the Weed Science Society of America. 6th ed. Champaign, IL: Weed Science Society of America, 1989., p. 236
LIMITED STUDIES HAVE SHOWN SOME MINOR FUNGICIDAL & NEMATOCIDAL ACTIVITY BUT NO INSECTICIDAL ACTIVITY.
Weed Science Society of America. Herbicide Handbook. 5th ed. Champaign, Illinois: Weed Science Society of America, 1983., p. 436
Applications of either sprays or granules should be made on bare soil prior to weed emergence. It also may be applied prior to planting for many crops. Simazine has little or no foliar activity & must be absorbed by plant roots. Under dry conditions, a shallow incorporation may increase the degree of weed control. For aquatic use such as in recreational or farm ponds, application may be made from several points in the pond. Natural water movement will disperse simazine.
Humburg, N.E. (ed.). Herbicide Handbook of the Weed Science Society of America. 6th ed. Champaign, IL: Weed Science Society of America, 1989., p. 236

11 Identification

11.1 Analytic Laboratory Methods

TRIMETHYLSILYL DERIVATIVES OF 6 SUSPECTED METABOLITES OF SIMAZINE WERE PREPARED BY REACTION WITH N,O-BIS(TRIMETHYLSILYL) TRIFLUOROACETAMIDE. THE DERIVATIVES WERE ANALYZED BY GAS CHROMATOGRAPHY MASS SPECTROMETRY WTIH ELECTRON IMPACT IONIZATION & CHEMICAL IONIZATION.
LUSBY WR, REARNEY PC; J AGRIC FOOD CHEM 26 (3): 635-8 (1978)
A METHOD IS DESCRIBED FOR QUANTITATIVE DETERMINATION OF HYDROXY-S-TRIAZINE RESIDUES IN PLANT TISSUE. HYDROXY METABOLITES OF SIMAZINE WERE SEPARATED BY HIGH-PRESSURE LIQ CHROMATOGRAPHY ON A SILICA GEL COLUMN & DETECTED AT 240 NM WITH A UV SPECTROPHOTOMETER DETECTOR. THE PROCEDURE INVOLVES EXTRACTION OF SAMPLES WITH METHANOL, CLEANUP WITH CATION-EXCHANGE RESIN, A POLYACRYLAMIDE ADSORPTION RESIN & STYRENE DIVINYL BENZENE GEL FILTRATION COLUMN. THE RANGE OF RECOVERY WAS 70-113%, WITH DETECTION LIMITS OF 0.05 MG/KG.
RAMSTEINER KA, HOERMANN WD; J AGRIC FOOD CHEM 27 (5): 934-8 (1979)
MULTI-COMPONENT MIXTURES OF N-DIALKYLATED DEGRADATION PRODUCTS OF TWENTY NINE S-TRIAZINES & THEIR PARENT CMPD WERE SEPARATED ON CARBOWAX 20M GLASS CAPILLARY GAS-LIQ CHROMATOGRAPHY COLUMN AT 473 °C. SIMAZINE WAS ONE OF THE TRIAZINES.
MATISOVA, KRUPCIK J; J CHROMATOGR 205 (2): 464 (1981)
A TLC-DENSITOMETRIC METHOD FOR DETERMINATION OF TRIAZINE HERBICIDES, ATRAZINE & SIMAZINE IN NATURAL & TAP WATER IS DESCRIBED.
SHERMA J, MILLER NT; J LIQ CHROMATOGR 3 (6): 901 (1980)
For more Analytic Laboratory Methods (Complete) data for SIMAZINE (27 total), please visit the HSDB record page.

11.2 Clinical Laboratory Methods

Analytical methodology for the separation and characterization of s-triazine residues in urine was developed. In the sample preparation procedure developed, a urine sample at pH 12 was extracted with hexane 3 times, using sodium chloride as an emulsion inhibitor. The combined hexane extract was dried by passing it through a sodium sulfate column and concentrated by rotary evaporation. The sample was transferred to a centrifuge tube and further concentrated to 0.5 ml under a stream of dry nitrogen. The sample was analyzed by gas chromatography using the Hall electrolytic conductivity detector in the nitrogen-specific mode. Simazine was one the triazines.
Erickson M et al; J Agric Food Chem 27 (4): 740-3 (1979)

11.3 NIOSH Analytical Methods

12 Safety and Hazards

12.1 Hazards Identification

12.1.1 GHS Classification

1 of 5
View All
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Warning
GHS Hazard Statements

H302 (52.3%): Harmful if swallowed [Warning Acute toxicity, oral]

H319 (52.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P391, P405, and P501

(The corresponding statement to each P-code can be found at the GHS Classification page.)

ECHA C&L Notifications Summary

Aggregated GHS information provided per 86 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

12.1.2 Hazard Classes and Categories

Acute Tox. 4 (52.3%)

Eye Irrit. 2 (52.3%)

Carc. 2 (100%)

Aquatic Acute 1 (100%)

Aquatic Chronic 1 (100%)

Carcinogenicity - category 2

Hazardous to the aquatic environment (acute) - category 1

Hazardous to the aquatic environment (chronic) - category 1

12.1.3 Health Hazards

SYMPTOMS: Symptoms of exposure to this compound may include contact dermatitis, slight edema, erythema, pruritus and burning. It may cause skin and eye irritation. It may also cause liver and kidney damage, coma or convulsions.

ACUTE/CHRONIC HAZARDS: This compound can cause skin and eye irritation. When heated to decomposition it emits toxic fumes of chloride ion and NOx. (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

12.1.4 Fire Hazards

Literature sources indicate that this chemical is nonflammable. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

12.1.5 Hazards Summary

Simazine is slightly to practically nontoxic. Damage to the liver and other organs is observed in high-dose feeding studies of experimental animals. [EXTOXNET] The following herbicides have an oral LD50 of >1 gm/kg and have little or no acute toxicity in humans: Alachlor, Amitrole, Ammonium sulfamate, Atrazine, Dalapon, Dicamba, Glyphosphate, Monuron, Oryzalin, Picloram, Propanil, Simazine, etc. [LaDou, p. 613] For the triazine herbicides, systemic toxicity unlikely unless large amounts are ingested; May cause irritation; [EPA Pesticides, p. 121] Not acutely toxic; TLV Basis: hematologic effects; In female rats, depression in red blood cell count, hemoglobin and hematocrit and elevations in mean corpuscular hemoglobin (MCH), mean corpuscular hemoglobin concentration (MCHC) and white blood cell count were seen at both the mid and high doses and the NOEL for these effects was 10 ppm or 0.52 mg/kg/day. Dermatitis has been reported, but a repeated patch insult test with 50 human subjects showed the 80% wettable powder formulation of simazine was not a primary irritant, defatting agent, or sensitizer. [ACGIH]
LaDou - LaDou J, Harrison R (eds). Current Occupational & Environmental Medicine, 5th Ed. New York: McGraw-Hill, 2014., p. 613
ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.
The major hazards encountered in the use and handling of simazine stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless to white powder may occur from its manufacture, formulation, and use as an herbicide. Effects from exposure may include eye and dermal irritation, shortness of breath, muscle spasms, ataxia, and anorexia. In activities and situations where over exposure may occur, wear a self-contained breathing apparatus and personal protective clothing. If contact should occur, immediately flush affected skin or eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. While simazine does not ignite easily, it may burn with the production of irritating and poisonous gases. For fires involving simazine, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Simazine may be shipped domestically via air, rail, road, and water, in containers bearing the label "Poison". Simazine should be stored in its original container, in dark, well-ventilated areas, away from heat, sparks, and other sources of ignition. Small dry spills of simazine may be placed into a clean, dry, covered container for later disposal (liquid solutions are first absorbed in sand or other noncombustible absorbent). Large liquid spills should be diked far ahead to prevent simazine from entering water sources and sewers. Before implementing land disposal of simazine, consult with regulatory agencies for guidance.

12.1.6 Fire Potential

Combustible.
Sax, N.I. and R.J. Lewis, Sr. (eds.). Hawley's Condensed Chemical Dictionary. 11th ed. New York: Van Nostrand Reinhold Co., 1987., p. 1045

12.1.7 Skin, Eye, and Respiratory Irritations

Simazine is a moderate eye and dermal irritant.
Purdue University; National Pesticide Information Retrieval System (1988)
...The overwhelming majority of symptoms reported due to simazine exposure were eye, dermal, and throat irritation.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.31. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm

12.2 Safety and Hazard Properties

12.2.1 Physical Dangers

Dust explosion possible if in powder or granular form, mixed with air.

12.3 First Aid Measures

Inhalation First Aid
Fresh air, rest.
Skin First Aid
Remove contaminated clothes. Rinse and then wash skin with water and soap.
Eye First Aid
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Ingestion First Aid
Rinse mouth. Give one or two glasses of water to drink. Rest. Refer for medical attention .

12.3.1 First Aid

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.

INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.

INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

12.4 Fire Fighting

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Use water spray, foam, powder, carbon dioxide.

12.4.1 Fire Fighting Procedures

This chemical is a combustible liquid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. Poisonous gases are produced in fire. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 2044
Extinguish fire using agent suitable for type of surrounding fire. ... Use water in flooding quantities as fog. Use "alcohol foam", dry chemical or carbon dioxide. Wear positive pressure self contained breathing apparatus when fighting fires involving this material. /Triazine pesticide, solid, not otherwise specified (compounds and preparations), (agricultural insecticides, not elsewhere classified, other than liquid)/
Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994., p. 1068
Avoid breathing dusts & fumes from burning material. Keep upwind. /Triazine pesticide, solid, not otherwise specified (compounds and preparations), (agricultural insecticides, not elsewhere classified, other than liquid)/
Association of American Railroads. Emergency Handling of Hazardous Materials in Surface Transportation. Washington, DC: Association of American Railroads, Bureau of Explosives, 1994., p. 1068

12.5 Accidental Release Measures

12.5.1 Isolation and Evacuation

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

12.5.2 Spillage Disposal

Personal protection: chemical protection suit including self-contained breathing apparatus. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

12.5.3 Cleanup Methods

Evacuate persons not wearing protective equipment from area of spill or leak until clean-up is complete. Remove all ignition sources. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean-up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 2044

12.5.4 Disposal Methods

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
This pesticide is toxic to aquatic invertebrate. Do not discharge effluent containing this product into lakes, streams, ponds, estuaries, oceans, or other waters unless in accordance with the requirements of a National Pollution Policies Discharge Elimination System (NPDES) permit and the permitting authority has been notified in writing prior to discharge.
64
This pesticide is toxic to aquatic invertebrates. Except when following the Directions for Use for applications to aquariums and outdoor ponds when permitted on the label, do not apply directly to water, to areas where surface water is present, or to intertidal areas below the mean high water mark. Runoff and drift from treated areas may be hazardous to aquatic organisms in neighboring areas. Do not contaminate water when disposing of equipment wash water. For aquatic use in aquariums or ornamental ponds: Do not apply to or allow discharge to lakes, flowing water, or ponds with outflow. Do not contaminate domestic livestock or irrigation water supplies."
67
Strong acid or alkaline hydrolysis leads to complete degradation of simazine. However, large quantities of simazine should be incinerated in a unit operating at 850 °C equipped with off-gas scrubbing equipment. In accordance with 40CFR 165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed of properly by the following package label directions or by contacting your state pesticide or environmental control agency or by contacting your regional EPA office.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 2044
For more Disposal Methods (Complete) data for SIMAZINE (11 total), please visit the HSDB record page.

12.5.5 Preventive Measures

Follow manufacturer's instructions for cleaning/maintaining PPE. If no such instructions for washables exist, use detergent and hot water. Keep and wash separately from other laundry. Discard clothing and other absorbent materials that have been drenched or heavily contaminated with this product's concentrate. Do not reuse them.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.65. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
Users should wash hands before eating, drinking, chewing gum, using tobacco, or using the toilet. Users should remove clothing/PPE immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing. Users should remove PPE immediately after handling this product. Wash the outside of gloves before removing. As soon as possible, wash thoroughly and change into clean clothing.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.66. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
For Christmas trees, do not enter or allow worker entry into treated areas during restricted-entry interval (REI) of 48 hours. For all other crops and use-patterns, do not enter or allow worker entry into treated areas during the REI of 12 hours.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.69. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
Product must not be mixed or loaded within 50 feet of intermittent streams and rivers, natural or impounded lakes and reservoirs. Product must not be applied within 66 feet of points where field surface water runoff enters perennial or intermittent streams and rivers or within 200 feet of natural or impounded lakes and reservoirs. If this product is applied to highly erodible land, the 66 foot buffer or setback from runoff entry points must be planted to crop, or seeded with grass or other suitable crop. Product must not be mixed or loaded, or used within 50 feet of all wells, including abandoned wells, drainage wells, and sink holes. Operations that involve mixing, loading, rinsing, or washing of this product into or from pesticide handling or application equipment or containers within 50 feet of any well are prohibited, unless conducted on an impervious pad constructed to withstand the weight of the heaviest load that may be positioned on or moved across the pad. ...
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.68. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
For more Preventive Measures (Complete) data for SIMAZINE (12 total), please visit the HSDB record page.

12.6 Handling and Storage

12.6.1 Nonfire Spill Response

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures and away from mineral acids and bases. You should also protect from light. (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

12.6.2 Safe Storage

Separated from food and feedstuffs. Well closed.

12.6.3 Storage Conditions

Product must be stored in its sealed original containers, in well aired, fresh & dry storehouses or in shaded & possibly well aired places. It is recommended that the product be kept away from sources of heat, free flames or spark generating equipment.
Farm Chemicals Handbook 1989. Willoughby, OH: Meister Publishing Co., 1989., p. C-262
Storage stability is three years at room temperature under dry conditions.
Purdue University; National Pesticide Information Retrieval System (1988)

12.7 Exposure Control and Personal Protection

12.7.1 Threshold Limit Values (TLV)

0.5 [mg/m3], inhalable particulate matter
(inhalable fraction): 0.5 mg/m
TLV-TWA (Time Weighted Average)
0.5 mg/m³ (inhalable particulate matter) [2015]

12.7.2 Inhalation Risk

Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.

12.7.3 Effects of Long Term Exposure

Repeated or prolonged contact with skin may cause dermatitis.

12.7.4 Acceptable Daily Intakes

... 0.215 mg/kg/day.
Sittig, M. (ed.) Pesticide Manufacturing and Toxic Materials Control Encyclopedia. Park Ridge, NJ: Noyes Data Corporation. 1980., p. 673

12.7.5 Allowable Tolerances

Tolerances are established for residues of the herbicide simazine (2-chloro-4,6-bis(ethylamino)-s-triazine) in or on the following raw agricultural commodities:
Commodity
Alfalfa
Parts per million
15
Expiration/Revocation Date
None
Commodity
Alfalfa, forage
Parts per million
15
Expiration/Revocation Date
None
Commodity
Alfalfa, hay
Parts per million
15
Expiration/Revocation Date
None
Commodity
Almond
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Almond, hulls
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Apple
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Artichoke, globe
Parts per million
0.5
Expiration/Revocation Date
12/31/00
Commodity
Asparagus
Parts per million
10
Expiration/Revocation Date
12/31/00
Commodity
Avocado
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Bermuda grass
Parts per million
15
Expiration/Revocation Date
None
Commodity
Bermudagrass, forage
Parts per million
15
Expiration/Revocation Date
None
Commodity
Bermudagrass, hay
Parts per million
15
Expiration/Revocation Date
None
Commodity
Blackberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Blueberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Boysenberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Cattle, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Cattle, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Cattle, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Cherry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Corn, forage
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Corn, sweet, kernel plus cob with husks removed
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Corn, grain
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Corn, stover
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Cranberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Currant
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Dewberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Egg
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Filbert
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Goat, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Goat, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Goat, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Grapefruit
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Grape
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Grass
Parts per million
15
Expiration/Revocation Date
None
Commodity
Grass, forage
Parts per million
15
Expiration/Revocation Date
None
Commodity
Grass, hay
Parts per million
15
Expiration/Revocation Date
None
Commodity
Hog, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Hog, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Hog, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Horse, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Horse, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Horse, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Lemon
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Loganberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Milk
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Nut, macadamia
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Olive
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Orange, sweet
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Peach
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Pear
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Pecan
Parts per million
0.1 (Negligible)
Expiration/Revocation Date
None
Commodity
Plum
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Poultry, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Poultry, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Poultry, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Raspberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Sheep, fat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Sheep, meat byproducts
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Sheep, meat
Parts per million
0.02 (Negligible)
Expiration/Revocation Date
None
Commodity
Strawberry
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Sugarcane, cane
Parts per million
0.25
Expiration/Revocation Date
None
Commodity
Sugarcane, molasses
Parts per million
1
Expiration/Revocation Date
None
Commodity
Walnut
Parts per million
0.2
Expiration/Revocation Date
None
40 CFR 180.213(a) (1); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 4, 2007: https://www.ecfr.gov
Tolerances are established for the combined residues of the herbicide simazine (2-chloro-4,6-bis(ethylamino)-s-triazine) and its metabolites 2-amino-4-chloro-6-ethylamino-s-triazine and 2,4-diamino-6-chloro-s-triazine in or on raw agricultural commodities as follows:
Commodity
Banana
Parts per million
0.2
Commodity
Fish
Parts per million
12
40 CFR 180.213(a) (2); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 4, 2007: https://www.ecfr.gov

12.7.6 Personal Protective Equipment (PPE)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
PPE Requirements ... For Liquid Formulations: All mixers, loaders, applicators and other handlers must wear: Long-sleeve shirts and long pants, Shoes plus socks, and Chemical-resistant gloves.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.64. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
PPE Requirements ... for Dry Flowable Formulations: Mixers and loaders supporting groundboom applications must wear: Coveralls over long-sleeve shirt and long pants, Chemical-resistant footwear plus socks, Chemical-resistant gloves, Chemical-resistant apron, and a NIOSH-approved respirator with a dust/mist filter (with MSHA/NIOSH approval number prefix TC-21C or with any N, R, P, or HE filter). If the product contains oil or bears instructions that will allow application with an oil-containing material, the "N" designation must be dropped. All other mixers, loaders, applicators, and other handlers must wear: Long-sleeve shirts and long pants, Shoes plus socks, and Chemical-resistant gloves.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.65. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
PPE required for early entry to treated areas that is permitted under the Worker Protection Standard and that involves contact with anything that has been treated, such as plants, soil, or water, is: for uses and use-patterns: Coveralls, Shoes plus socks, and Chemical-resistant gloves made of any waterproof material.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.69. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
When handlers use closed systems or enclosed cabs in a manner that meets the requirements listed in the Worker Protection Standard (WPS) for agricultural pesticides (40 CFR 170.240 (d)(4, 5)), the handler PPE requirements may be reduced or modified as specified in WPS.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.66. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
For more Personal Protective Equipment (PPE) (Complete) data for SIMAZINE (6 total), please visit the HSDB record page.

12.7.7 Preventions

Fire Prevention
NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Exposure Prevention
PREVENT DISPERSION OF DUST!
Inhalation Prevention
Use local exhaust or breathing protection.
Skin Prevention
Protective gloves.
Eye Prevention
Wear safety spectacles or eye protection in combination with breathing protection.
Ingestion Prevention
Do not eat, drink, or smoke during work. Wash hands before eating.

12.8 Stability and Reactivity

12.8.1 Air and Water Reactions

Insoluble in water.

12.8.2 Reactive Group

Amines, Phosphines, and Pyridines

Aryl Halides

12.8.3 Reactivity Profile

SIMAZINE is hydrolyzed by strong acids and alkalis (NTP, 1992).
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

12.8.4 Hazardous Reactivities and Incompatibilities

Incompatible with strong oxidizers.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 2043

12.9 Transport Information

12.9.1 Shipping Name / Number DOT/UN/NA/IMO

UN 2997; Triazine pesticide, liquid, flammable, toxic, not otherwise specified, flashpoint between 23 °C and 61 °C
UN 2764; Triazine pesticide, liquid, flammable, toxic, not otherwise specified, flashpoint less than 23 °C
UN 2998; Triazine pesticide, liquid, not otherwise specified
UN 2763; Triazine pesticide, solid, not otherwise specified
For more Shipping Name/ Number DOT/UN/NA/IMO (Complete) data for SIMAZINE (6 total), please visit the HSDB record page.

12.9.2 Standard Transportation Number

49 216 66; Triazine pesticide, solid, not otherwise specified (compounds and preparations), (agricultural insecticides, not elsewhere classified, other than liquid)

12.9.3 Shipment Methods and Regulations

Triazine pesticides, solid, toxic. Hazard Class: 6.1. Label: "Poison." Packaging Group: I to III.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 2044
No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./
49 CFR 171.2 (7/1/96)
The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.
IATA. Dangerous Goods Regulations. 38th ed. Montreal, Canada and Geneva, Switzerland: International Air Transport Association, Dangerous Goods Board, January, 1997., p. 224
The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
IMDG; International Maritime Dangerous Goods Code; International Maritime Organization p.3097-1,6193,6194,6195 (1988)

12.9.4 DOT Label

Class 9

12.9.5 Packaging and Labelling

Do not transport with food and feedstuffs.

12.9.6 EC Classification

Symbol: Xn, N; R: 40-50/53; S: (2)-36/37-46-60-61

12.10 Regulatory Information

California Safe Cosmetics Program (CSCP) Reportable Ingredient

Hazard Traits - Developmental Toxicity; Other Toxicological Hazard Traits; Reproductive Toxicity

Authoritative List - CA MCLs; CWA 303(d); Prop 65

Report - regardless of intended function of ingredient in the product

Status Regulation (EC)
04/247/EC
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Simazine: HSNO Approval: HSR003354 Approved with controls

12.10.1 Federal Drinking Water Standards

EPA 4 ug/l
USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present

12.10.2 Federal Drinking Water Guidelines

EPA 4 ug/l
USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present

12.10.3 State Drinking Water Guidelines

(AZ) ARIZONA 35 ug/l
USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present
(ME) MAINE 3.5 ug/l
USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present
(MN) MINNESOTA 4 ug/L
USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present

12.10.4 FIFRA Requirements

Tolerances are established for residues of the herbicide simazine (2-chloro-4,6-bis(ethylamino)-s-triazine) in or on the following raw agricultural commodities:
Commodity
Alfalfa
Expiration/Revocation Date
None
Commodity
Alfalfa, forage
Expiration/Revocation Date
None
Commodity
Alfalfa, hay
Expiration/Revocation Date
None
Commodity
Almond
Expiration/Revocation Date
None
Commodity
Almond, hulls
Expiration/Revocation Date
None
Commodity
Apple
Expiration/Revocation Date
None
Commodity
Artichoke, globe
Expiration/Revocation Date
12/31/00
Commodity
Asparagus
Expiration/Revocation Date
12/31/00
Commodity
Avocado
Expiration/Revocation Date
None
Commodity
Bermuda grass
Expiration/Revocation Date
None
Commodity
Bermudagrass, forage
Expiration/Revocation Date
None
Commodity
Bermudagrass, hay
Expiration/Revocation Date
None
Commodity
Blackberry
Expiration/Revocation Date
None
Commodity
Blueberry
Expiration/Revocation Date
None
Commodity
Boysenberry
Expiration/Revocation Date
None
Commodity
Cattle, fat
Expiration/Revocation Date
None
Commodity
Cattle, meat byproducts
Expiration/Revocation Date
None
Commodity
Cattle, meat
Expiration/Revocation Date
None
Commodity
Cherry
Expiration/Revocation Date
None
Commodity
Corn, forage
Expiration/Revocation Date
None
Commodity
Corn, sweet, kernel plus cob with husks removed
Expiration/Revocation Date
None
Commodity
Corn, grain
Expiration/Revocation Date
None
Commodity
Corn, stover
Expiration/Revocation Date
None
Commodity
Cranberry
Expiration/Revocation Date
None
Commodity
Currant
Expiration/Revocation Date
None
Commodity
Dewberry
Expiration/Revocation Date
None
Commodity
Egg
Expiration/Revocation Date
None
Commodity
Filbert
Expiration/Revocation Date
None
Commodity
Goat, fat
Expiration/Revocation Date
None
Commodity
Goat, meat byproducts
Expiration/Revocation Date
None
Commodity
Goat, meat
Expiration/Revocation Date
None
Commodity
Grapefruit
Expiration/Revocation Date
None
Commodity
Grape
Expiration/Revocation Date
None
Commodity
Grass
Expiration/Revocation Date
None
Commodity
Grass, forage
Expiration/Revocation Date
None
Commodity
Grass, hay
Expiration/Revocation Date
None
Commodity
Hog, fat
Expiration/Revocation Date
None
Commodity
Hog, meat byproducts
Expiration/Revocation Date
None
Commodity
Hog, meat
Expiration/Revocation Date
None
Commodity
Horse, fat
Expiration/Revocation Date
None
Commodity
Horse, meat byproducts
Expiration/Revocation Date
None
Commodity
Horse, meat
Expiration/Revocation Date
None
Commodity
Lemon
Expiration/Revocation Date
None
Commodity
Loganberry
Expiration/Revocation Date
None
Commodity
Milk
Expiration/Revocation Date
None
Commodity
Nut, macadamia
Expiration/Revocation Date
None
Commodity
Olive
Expiration/Revocation Date
None
Commodity
Orange, sweet
Expiration/Revocation Date
None
Commodity
Peach
Expiration/Revocation Date
None
Commodity
Pear
Expiration/Revocation Date
None
Commodity
Pecan
Expiration/Revocation Date
None
Commodity
Plum
Expiration/Revocation Date
None
Commodity
Poultry, fat
Expiration/Revocation Date
None
Commodity
Poultry, meat byproducts
Expiration/Revocation Date
None
Commodity
Poultry, meat
Expiration/Revocation Date
None
Commodity
Raspberry
Expiration/Revocation Date
None
Commodity
Sheep, fat
Expiration/Revocation Date
None
Commodity
Sheep, meat byproducts
Expiration/Revocation Date
None
Commodity
Sheep, meat
Expiration/Revocation Date
None
Commodity
Strawberry
Expiration/Revocation Date
None
Commodity
Sugarcane, cane
Expiration/Revocation Date
None
Commodity
Sugarcane, molasses
Expiration/Revocation Date
None
Commodity
Walnut
Expiration/Revocation Date
None
40 CFR 180.213(a) (1); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 4, 2007: https://www.ecfr.gov
Tolerances are established for the combined residues of the herbicide simazine (2-chloro-4,6-bis(ethylamino)-s-triazine) and its metabolites 2-amino-4-chloro-6-ethylamino-s-triazine and 2,4-diamino-6-chloro-s-triazine in or on raw agricultural commodities as follows:
Commodity
Banana
Commodity
Fish
40 CFR 180.213(a) (2); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 4, 2007: https://www.ecfr.gov
The Agency has completed its assessment of the dietary (both food and drinking water), residential, occupational, and ecological risks associated with the use of pesticide products containing the active ingredient simazine. Based on a review of these data and on public comments on the Agency's assessments for the active ingredient simazine, the Agency has sufficient information on the human health and ecological effects of simazine to make decisions as part of the tolerance reassessment process under FFDCA and reregistration process under FIFRA, as amended by FQPA. The Agency has determined that products containing simazine are eligible for reregistration provided that the risk mitigation measures outlined in this document are adopted and label amendments are made to reflect these measures.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.42. EPA 738-R-06-0008 (April 2006). Available from, as of June 14, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Simazine is found on List A, which contains most food use pesticides and consists of the 194 chemical cases (or 350 individual active ingredients) for which EPA issued registration standards prior to FIFRA, as amended in 1988. Case No: 0070; Pesticide type: herbicide; Registration Standard Date: 03/01/84; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): Simazine; Data Call-in (DCI) Date(s): 09/11/91, 03/03/95, 10/13/95; AI Status: The producers of the pesticide has made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.
USEPA/OPP; Status of Pesticides in Registration, Reregistration and Special Review p.148 (Spring, 1998) EPA 738-R-98-002

12.11 Other Safety Information

Chemical Assessment

IMAP assessments - 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-: Human health tier I assessment

IMAP assessments - 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-: Environment tier I assessment

12.11.1 Special Reports

USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine. 267 p. EPA 738-R-06-008 (April 2006) This document presents EPA's revised human health and environmental fate and effects risk assessments, its progress toward tolerance reassessment, and the reregistration eligibility decision for simazine. The document consists of six sections. Section I contains the regulatory framework for reregistration and tolerance reassessment. Section II provides a description of the chemical and a profile of the use and usage of the chemical. Section III provides a summary of the human health and ecological risk assessments which have been revised based on data, public comments, and other information received in response to the preliminary risk assessments. Section IV presents the Agency's risk management, reregistration eligibility, and tolerance reassessment decisions. Section V summarizes the data requirements necessary to confirm the reregistration eligibility decision as well as label changes and language necessary to implement the risk mitigation measures outlined in Section IV. Section VI, the Appendices, provides related information and supporting documents. The preliminary and revised risk assessments for simazine are available in the public docket EPA-HQ-OPP-2005-0151 located on-line in FDMS, http://www.regulations.gov.
US EPA/Office of Pesticides Programs, Health Effects Division; Cumulative Risk from Triazine Pesticides. 65 p. (March 2006). As part of the tolerance reassessment process under the Food Quality Protection Act (FQPA) of 1996, EPA must consider available information concerning the cumulative effects on human health resulting from exposure to multiple chemicals that have a common mechanism of toxicity. Based on use patterns and the likelihood of exposure to atrazine, simazine, and propazine, only atrazine and simazine and their common metabolites (DEA, DIA and DACT) have been included in the the triazine cumulative risk assessment.
European Chemicals Bureau; IUCLID Dataset, Simazine (CAS No. 122-34-9) (2000 CD-ROM edition). Available from the Database Query page at: http://ecb.jrc.it/esis/esis.php as of June 6, 2007. Information on usage patterns, toxicity, and ecotoxicity reported to the European Union by industry is described.
Venkat JA etal; Environ Mol Mutagen 25 (1): 67-76 1995. Relative genotoxic activities of pesticides evaluated by a modified SOS microplate assay.
Mersch-Sundermann V et al; Mutagenesis 9 (3): 205-24 May 1994. SOS induction in Escherichia coli and Salmonella mutagenicity: a comparison using 330 compounds.

13 Toxicity

13.1 Toxicological Information

13.1.1 EPA IRIS Information

Substance
Toxicity Summary
EPA IRIS Summary PDF (Update: Sep-01-1993 )
Critical Effect Systems
Hematologic
Reference Dose (RfD), chronic
5 x 10 ^-3 mg/kg-day

13.1.2 RAIS Toxicity Values

Oral Chronic Reference Dose (RfDoc) (mg/kg-day)
0.005
Oral Chronic Reference Dose Reference
IRIS Current
Oral Subchronic Chronic Reference Dose (RfDos) (mg/kg-day)
0.005
Oral Subchronic Chronic Reference Dose Reference
HEAST Current
Oral Slope Factor (CSFo)(mg/kg-day)^-1
0.12
Oral Slope Factor Reference
HEAST Current

13.1.3 USGS Health-Based Screening Levels for Evaluating Water-Quality

Chemical
Simazine
USGS Parameter Code
65105
Chemical Classes
Pesticide
MCL (Maximum Contaminant Levels)[μg/L]
4
Reference
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

13.1.4 Evidence for Carcinogenicity

Cancer Classification: Not Likely to be Carcinogenic to Humans
USEPA Office of Pesticide Programs, Health Effects Division, Science Information Management Branch: "Chemicals Evaluated for Carcinogenic Potential" (April 2006)
Evaluation: There is inadequate evidence in humans for the carcinogenicity of simazine. There is limited evidence in experimental animals for the carcinogenicity of simazine. Overall evaluation: Simazine is not classifiable as to its carcinogenicity to humans (Group 3).
IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: https://monographs.iarc.fr/ENG/Classification/index.php, p. V73 636 (1999)

13.1.5 Carcinogen Classification

1 of 2
IARC Carcinogenic Agent
Simazine
IARC Carcinogenic Classes
Group 3: Not classifiable as to its carcinogenicity to humans
IARC Monographs

Volume 53: (1991) Occupational Exposures in Insecticide Application, and Some Pesticides

Volume 73: (1999) Some Chemicals that Cause Tumours of the Kidney or Urinary Bladder in Rodents and Some Other Substances

2 of 2
Carcinogen Classification
3, not classifiable as to its carcinogenicity to humans. (L135)

13.1.6 Exposure Routes

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.

13.1.7 Target Organs

Hematologic

13.1.9 Adverse Effects

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

ACGIH Carcinogen - Confirmed Animal.

13.1.10 Acute Effects

13.1.11 Toxicity Data

LC50 (rat) = 9800 mg/m3/4H

13.1.12 Interactions

Recent studies have demonstrated the potentiating effects of triazine herbicides, such as atrazine and its analogs, to the toxicity of a variety of organophosphate (OP) insecticides. One such OP insecticide, chlorpyrifos, has been the topic of much concern because of its prevalence in the environment. This study focused on examining the effects of 10 select triazine herbicides at concentrations of 1 mumole/L (approximately 200 mug/L) to chlorpyrifos with Hyalella azteca. The compounds selected include atrazine, three of its degradation products, and six other herbicide active ingredients. Toxicity tests were performed using a two-way analysis of variance matrix design with effect levels determined by way of probit analysis. Atrazine was found to have the greatest acutely lethal effect to H. azteca, followed by its closest degradation product, deethylatrazine. Two of the six atrazine analogs, simazine and cyanazine, also showed significant effects to the insecticide's toxicity. Synergistic ratios (SRs) were calculated to compare the effect magnitudes for each of the herbicides. The highest ratio obtained was with atrazine (SR = 1.42). A majority of the past studies involving mixtures of triazines and OPs have examined the potentiation effects of active-use triazine herbicides on Chironomus species. However, compared with the acute effects previously obtained for Chironomus species, H. azteca show a higher tolerance to the presence of the triazine herbicides, even at levels often considered as being at the high end of environmentally relevant concentrations. ..
Trimble AJ, Lydy MJ; Arch Environ Contam Toxicol 51 (1): 29-34 (2006)
A series of recent studies demonstrated that the triazine herbicide atrazine, although not itself acutely toxic, potentiated the toxicity of certain organophosphate insecticides (OPs) to the midge Chironomus tentans. In the current study, a series of triazine herbicides and triazine herbicide degradation products were tested to determine if other triazines potentiate OP toxicity to midges. Chlorpyrifos and diazinon were the OPs tested. ... All of the triazine herbicides tested (atrazine, simazine, cyanazine, and hexazinone) were capable of potentiating the toxicity of the OPs, whereas the degradation products (s-triazine, deethylatrazine, and deisopropylatrazine) had less effect. In most cases, a triazine concentration of 100 ug/L was necessary to significantly increase OP toxicity, and higher concentrations of triazine caused a greater degree of potentiation. Changes in EC50 values ranged from no change to a 2.5-fold increase in toxicity. Generally, EC50 values changed by less than a factor of 2, indicating that the effect may be of limited concern in regard to future risk assessments of OPs.
Schuler Lj et al; Arch Environ Contam Toxicol 49 (2): 173-7 (2005)
Goldfish (Carassius auratus) were exposed to a mixture of herbicides, namely atrazine, simazine, diuron, and isoproturon (ASDI) at a cumulative concentration of 50 ug/L for 12 weeks. Control fish and exposed fish were sampled at 4, 8 and 12 weeks of exposure to observe the combined impact of herbicides on non-specific and specific mechanisms of immunity and antioxidant defenses. The antioxidant defenses were evaluated in hemopoietic organs and liver. ASDI-induced stress was reflected as a significant induction of superoxide (O(2)(-)) production in phagocytic cells of head kidney and spleen. In addition, plasma lysozyme activity was consistently high in the treatment group. Specific immunity was assessed by antibody titer responses following immunization of the fish with sheep red blood cells (SRBCs). Antibody titer was reduced throughout the period of observation in ASDI-treated fish. This reduction was found to be significant at week 4 (p<0.05). Herbicide-exposed fish showed reduced resistance against pathogen invasion but remarkable enhancement in lysozyme activity. The ASDI-induced oxidative stress in spleen, kidney and liver was reflected as a change in the antioxidant enzyme activities in these vital organs of fish. /The authors concluded that the/ data indicate that herbicides at concentrations present in water bodies in Europe cause immune suppression in goldfish.
Fatima M et al; Aquat Toxicol 81 (2): 159-67 (2007)

13.1.13 Antidote and Emergency Treatment

Skin decontamination. Skin contamination should be treated promptly by washing with soap and water. Contamination of the eyes should be treated immediately by prolonged flushing of the eyes with large amounts of clean water. If dermal or ocular irritation persists, medical attention should be obtained without delay. /Other herbicides/
U.S. Environmental Protection Agency/Office of Prevention, Pesticides, and Toxic Substances. Reigart, J.R., Roberts, J.R. Recognition and Management of Pesticide Poisonings. 5th ed. 1999. EPA Document No. EPA 735-R-98-003, and available in electronic format at: https://www.epa.gov/pesticides/safety/healthcare, p. 123
Gastrointestinal decontamination. Ingestions of these herbicides are likely to be followed by vomiting and diarrhea due to their irritant properties. Management depends on: (1) the best estimate of the quantity ingested, (2) time elapsed since ingestion, and (3) the clinical status of the subject. Activated charcoal is probably effective in limiting irritant effects and reducing absorption of most or all of these herbicides. Aluminum hydroxide antacids may be useful in neutralizing the irritant actions of more acidic agents. Sorbitol should be given to induce catharsis if bowel sounds are present and if spontaneous diarrhea has not already commenced. Dehydration and electrolyte disturbances may be severe enough to require oral or intravenous fluids. ... If large amounts of herbicide have been ingested and the patient is seen within an hour of the ingestion, gastrointestinal decontamination should be considered ... . If the amount of ingested herbicides was small, if effective emesis has already occurred, or if treatment is delayed, administer activated charcoal and sorbitol by mouth. /Other herbicides/
U.S. Environmental Protection Agency/Office of Prevention, Pesticides, and Toxic Substances. Reigart, J.R., Roberts, J.R. Recognition and Management of Pesticide Poisonings. 5th ed. 1999. EPA Document No. EPA 735-R-98-003, and available in electronic format at: https://www.epa.gov/pesticides/safety/healthcare, p. 123
Intravenous fluids. If serious dehydration and electrolyte depletion have occurred as a result of vomiting and diarrhea, monitor blood electrolytes and fluid balance and administer intravenous infusions of glucose, normal saline, Ringer's solution, or Ringer's lactate to restore extracellular fluid volume and electrolytes. Follow this with oral nutrients as soon as fluids can be retained. /Other herbicides/
U.S. Environmental Protection Agency/Office of Prevention, Pesticides, and Toxic Substances. Reigart, J.R., Roberts, J.R. Recognition and Management of Pesticide Poisonings. 5th ed. 1999. EPA Document No. EPA 735-R-98-003, and available in electronic format at: https://www.epa.gov/pesticides/safety/healthcare, p. 123
Supportive measures are ordinarily sufficient for successful management of excessive exposures to these herbicides ... . If the patient's condition deteriorates in spite of good supportive care, the operation of an alternative or additional toxicant should be suspected. /Other herbicides/
U.S. Environmental Protection Agency/Office of Prevention, Pesticides, and Toxic Substances. Reigart, J.R., Roberts, J.R. Recognition and Management of Pesticide Poisonings. 5th ed. 1999. EPA Document No. EPA 735-R-98-003, and available in electronic format at: https://www.epa.gov/pesticides/safety/healthcare, p. 124
For more Antidote and Emergency Treatment (Complete) data for SIMAZINE (7 total), please visit the HSDB record page.

13.1.14 Medical Surveillance

Preliminary medical exam to detect chronic diseases of CNS, liver, heart, kidneys, lung & skin, as well as endocrinological or immunological disturbances, should ... /protect/ susceptible individuals. ... Periodical medical exam of internal organs, skin & eyes is important to avoid chronic occupational intoxications. It should include lab tests & patch tests if necessary. /Herbicides/
International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1039

13.1.15 Human Toxicity Excerpts

/SIGNS AND SYMPTOMS/ No case of poisoning in man reported, although exposure to simazine has caused acute and subacute dermatitis in USSR, characterized by erythema, slight edema, moderate pruritus, and burning lasting 4-5 days.
National Research Council. Drinking Water & Health Volume 1. Washington, DC: National Academy Press, 1977., p. 535
/SIGNS AND SYMPTOMS/ A total of 21 incidents were reported in the OPP Incident Data System (IDS). Many of these incidents involved irritant effects to the eyes, skin and respiratory passages and several involved general central nervous system effects (e.g., nausea, dizziness, headache, restlessness). Poison Control Incident data (1993-2001) indicated that simazine appears to be much less acutely toxic than other pesticides. The overwhelming majority of symptoms reported due to simazine exposure were eye, dermal, and throat irritation.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.31. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
/EPIDEMIOLOGY STUDIES/ An evaluation of pesticide use data and breast cancer incidence rates in California Hispanic females was conducted via a regression analysis. The analysis used 1988-2000 data from the California Cancer Registry, the population-based cancer registry that monitors cancer incidence and mortality in California. It also used pesticide use data from 1970-1988 from the California Department of Pesticide Regulation. California is the leading agricultural state in the United States, and more than a quarter of all pesticides in the United States are applied there. Hispanic (Latina) females are commonly employed in agricultural operations. The authors performed regression analysis of county-level specific pesticide use data (pounds of active ingredients applied) for two classes of pesticides, organochlorines and triazine herbicides, against the breast cancer incidence rates among Latinas, controlling for age, socioeconomic status, and fertility rates, using negative binomial regression models. A total of 23,513 Latinas were diagnosed with breast cancer in California during the years 1988-1999. Risk of breast cancer was positively and significantly associated with age and socioeconomic status, and inversely and significantly associated with fertility levels. With respect to pesticides, breast cancer was positively associated with pounds of the organochlorines methoxychlor (adjusted incidence rate ratio [IRR] for highest quartile = 1.18; confidence interval [CI] = 1.03-1.35) and toxaphene (IRR = 1.16; CI = 1.01-1.34). No significant associations were found for the triazine herbicides atrazine and simazine.
Mills PK, Yang R; J Environ Health 68 (6): 15-22 (2006)
/EPIDEMIOLOGY STUDIES/: ... to determine whether women with ovarian cancer have increased occupational exposure to triazine herbicides. ... a population-based case-control study of incident cases (n=256) and random digit-dialed control subjects (n=1122) was conducted. Participants were administered telephone interviews to obtain agricultural work history. These histories were used with the statewide pesticide usage database to calculate cumulative exposure estimates. The data were analyzed by stratified analysis and unconditional logistic regression techniques. ...: The analysis of ever versus never occupational exposure to triazines demonstrated that cases were slightly but not significantly more likely to be exposed than control subjects (adjusted odds=1.34; 95% confidence interval=0.77-2.33). There was no evidence of a dose-response relationship between triazines and ovarian cancer (P=0.22). ... Considered with previous studies and animal laboratory data, the current evidence is not persuasive as to the presence or absence of an association between ovarian cancer and triazine exposure. /Triazine herbicides/
Young HA et al; J Occup Environ Med 47 (11): 1148-56 (2005)
For more Human Toxicity Excerpts (Complete) data for SIMAZINE (9 total), please visit the HSDB record page.

13.1.16 Non-Human Toxicity Excerpts

/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Like atrazine and the chlorinated metabolites, simazine can also disrupt pubertal progression in male rats. In a male rat pubertal protocol designed for the EPA Endocrine Disruptor Screening Program, simazine treatment altered the timing of puberty... . The LOAEL for advanced puberty was 25 mg/kg/day; the NOAEL was 12.5 mg/kg/day. Serum testosterone and androstenedione were significantly increased at 6.25-25 mg/kg/day dose levels. At higher dose levels, hormone levels begin to decrease. There was also a dose-dependent decrease in the seminal vesicle and prostate weights at the three highest doses (75-300 mg/kg).
USEPA/Office of Pesticides Programs, Health Effects Division; Cumulative Risk from Triazine Pesticides p 20 (March 2006).
/LABORATORY ANIMALS: Acute Exposure/ EPA's Office of Pesticide Programs (OPP) has classified pesticides into four acute toxicity categories ranging from Toxicity Category I (most toxic) to Toxicity Category IV (least toxic). These toxicity categories reflect the doses or concentrations that, in an acute toxicity study, are lethal to at least 50% of the test animals in the group or are severely irritating. Non-lethal endpoints, such as those observed in histophathological evaluations or through clinical chemistry measurements, are not reflected in the toxicity categories. OPP uses six separate studies to determine the toxicity category classification for a pesticide - an acute oral study, an acute dermal study, an acute inhalation study, an eye irritation study, a skin irritation study, and a dermal sensitization study. Simazine is not acutely toxic and is classified as Toxicity Category IV via the oral route of exposure and Toxicity Category III via the dermal and inhalation routes of exposure. Simazine is not an eye or skin irritant, nor is the compound a dermal sensitizer.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Simazine p.13. EPA 738-R-06-008 (April 2006). Available from, as of May 29, 2007: https://www.epa.gov/pesticides/reregistration/status.htm
/LABORATORY ANIMALS: Acute Exposure/ ... Nonirritant to skin and eyes of rabbits.
Worthing, C.R. and S.B. Walker (eds.). The Pesticide Manual - A World Compendium. 8th ed. Thornton Heath, UK: The British Crop Protection Council, 1987., p. 746
/LABORATORY ANIMALS: Acute Exposure/ Acutely poisoned sheep and cattle exhibited muscular spasms, fasciculations, stiff gait and increased respiratory rates.
Gosselin, R.E., R.P. Smith, H.C. Hodge. Clinical Toxicology of Commercial Products. 5th ed. Baltimore: Williams and Wilkins, 1984., p. II-335
For more Non-Human Toxicity Excerpts (Complete) data for SIMAZINE (56 total), please visit the HSDB record page.

13.1.17 Non-Human Toxicity Values

LD50 Rat oral > 5000 mg/kg /Technical/
Worthing, C.R. and S.B. Walker (eds.). The Pesticide Manual - A World Compendium. 8th ed. Thornton Heath, UK: The British Crop Protection Council, 1987., p. 746
LD50 Rabbit percutaneous > 3100 mg/kg /Technical/
Farm Chemicals Handbook 1989. Willoughby, OH: Meister Publishing Co., 1989., p. C-262
LD50 Rat oral > 15380 mg/kg /Princep 80W/
Farm Chemicals Handbook 1989. Willoughby, OH: Meister Publishing Co., 1989., p. C-262
LD50 Rabbit percutaneous > 10200 mg/kg /Princep 80W/
Farm Chemicals Handbook 1989. Willoughby, OH: Meister Publishing Co., 1989., p. C-262
For more Non-Human Toxicity Values (Complete) data for SIMAZINE (10 total), please visit the HSDB record page.

13.1.18 National Toxicology Program Studies

Toxicity studies were performed with pesticide and fertilizer mixtures representative of groundwater contamination found in California ... .. The California mixture was composed of aldicarb, atrazine, 1,2-dibromo-3-chloropropane, 1,2- dichloropropane, ethylene dibromide, simazine, and ammonium nitrate. ... The mixtures were administered in drinking water (with 512 ppm propylene glycol) to F344/N rats and B6C3F1 mice of each sex at concentrations ranging from 0.1X to 100X, where 1X represented the median concentrations of the individual chemicals found in studies of groundwater contamination from normal agricultural activities. This report focuses primarily on 26-week toxicity studies describing histopathology, clinical pathology, neurobehavior/neuropathology, and reproductive system effects. ... In 26-week drinking water studies of the California ... mixtures, all rats (10 per sex and group) survived to the end of the studies, and there were no significant effects on body weight gains. Water consumption was not affected by the pesticide/fertilizer contaminants, and there were no clinical signs of toxicity or neurobehavioral effects as measured by a functional observational battery, motor activity evaluations, thermal sensitivity evaluations, and startle response. There were no clear adverse effects noted in clinical pathology (including serum cholinesterase activity), organ weight, reproductive system, or histopathologic evaluations ... . In 26-week drinking water studies in mice, one male receiving the California mixture at 100X died during the study ... . It could not be determined if the death ... was related to consumption of the pesticide/fertilizer mixtures. Water consumption and body weight gains were not affected in these studies, and no signs of toxicity were noted in clinical observations or in neurobehavioral assessments. No clear adverse effects were noted in clinical pathology, reproductive system, organ weight, or histopathologic evaluations of exposed mice. The pesticide/fertilizer mixtures, when tested over a concentration range similar to that used in the 26-week studies, were found to have no effects in teratology studies or in a continuous breeding assay examining reproductive and developmental toxicity. The California ... pesticide mixtures were tested for induction of micronuclei in peripheral blood erythrocytes of female mice. Results ... were negative. ... Sister chromatid exchange frequencies were marginally increased in rats and mice receiving the California mixture, but neither species exhibited increased frequencies of micronucleated splenocytes. None of these changes were considered to have biological importance...
NTP; Toxicity Studies of Pesticide/Fertilizer Mixtures Administered in Drinking Water to F344/N Rats and B6C3F1 Mice. (1993) TOX-36
Pesticides and fertilizers, as used in modern agriculture, contribute to the overall low-level contamination of groundwater sources. In order to determine the potential of pesticide and fertilizer mixtures to produce developmental toxicity at concentrations up to l00 times those found in groundwater, /the NTP/ studied a mixture of five pesticides (aldicarb, atrazine, dibromochloropropane, ethylene dibromide, and simazine) and one fertilizer component (ammonium nitrate). These chemicals and their relative concentrations in the stock mixture were selected on the basis of survey data from California (pesticides) and Iowa (fertilizer). The mixture (CALF) was administered in the drinking water to Sprague-Dawley rats (21-23 per group) on gestational days 6 to 20 at three dose levels, i.e., lX, l0X, and l00X, where lX was the median concentration of each pesticide component as determined in the surveys. Dams were monitored daily for signs of toxicity. On gd 20 fetuses were removed and examined for effects of CALF on growth, viability, and morphological development. Maternal body weights, food and water consumption and clinical signs were all similar to the control values. No adverse effects of CALF treatment were observed for measures of embryo/fetal toxicity, including resorptions per litter, live litter size, and fetal body weight. CALF did not cause an increased incidence of malformations or variations. In summary, under the conditions of this study, exposure of pregnant rats to a mixture of ammonium nitrate and pesticides at levels up to l00-fold greater than the median human exposure in groundwater supplies did not show any detectable adverse effects on the dam or developing conceptus.
NTP; Developmental Toxicology of California Pesticide/Fertilizer Mixture (CAS #PestFertMix2) in Sprague-Dawley (CD) Rats. TER90031(1992) NTIS# PB92-170406
Pesticide/Fertilizer Mixture II (PFM II) is composed of six pesticides (Aldicarb, Atrazine, Dibromochloropropane, 1,2- Dichloropropane, Ethylene Dibromide, and Simazine) and 1 fertilizer (Ammonium nitrate) and represents a real-life mixture of ground water contamination in California. PFM II in drinking water was tested for its effects on fertility and reproduction in Swiss CD-l mice according to the Continuous Breeding Protocol. 0, 1, 10, and 100X (1X being the median concentration found in ground water) were chosen to investigate the effects on fertility and reproduction. Male and female mice (F0) were continuously exposed for a 7- day precohabitation and a 98-day cohabitation period (Task 2). Male and female body weights in Task 2 were within 10% of control values. Water consumption was similar in F0 control and treated animals. Fertility and reproduction in F0 animals were not effected by PFM II. The F1 pups from the final litter in the control, 10 and 100X groups were weaned for second generation studies. At necropsy, kidney/adrenal weights were approximately 10% higher than controls in F1 10X-treated males and females and 100X-treated females. Absolute seminal vesicle weight as well as seminal vesicle-to-body weight ratio significantly decreased (ca. 11%) in the 100X dose group. PFM II produced mild systemic toxicity and no reproductive toxicity in Swiss CD-l mice at the dose levels tested.
NTP; Reproductive Toxicity of Pesticide/Fertilizer Mixture II (CAS No. PESTFERTMIX2) in CD-1 Swiss Mice NTP Report # RACB90027. (1992) NTIS # PB92-140730/AS

13.2 Ecological Information

13.2.1 EPA Ecotoxicity

Pesticide Ecotoxicity Data from EPA

13.2.2 Ecotoxicity Values

LC50 /Colinus virginianus/ (Bobwhite, age 10 days) oral >5000 ppm in 5 day diet /sample purity 99.1%/
U.S. Department of the Interior, Fish and Wildlife Service, Bureau of Sports Fisheries and Wildlife. Lethal Dietary Toxicities of Environmental Pollutants to Birds. Special Scientific Report - Wildlife No. 191. Washington, DC: U.S. Government Printing Office, 1975., p. 33
LC50 /Coturnix japonica/ (Japanese quail, age 12 days) oral >3720 ppm in 5 day diet /sample purity 99.1%/
U.S. Department of the Interior, Fish and Wildlife Service, Bureau of Sports Fisheries and Wildlife. Lethal Dietary Toxicities of Environmental Pollutants to Birds. Special Scientific Report - Wildlife No. 191. Washington, DC: U.S. Government Printing Office, 1975., p. 33
LC50 /Phasianus colchicus/ (Pheasant, age 10 days) oral >5000 ppm in 5 day diet /sample purity 99.1%/
U.S. Department of the Interior, Fish and Wildlife Service, Bureau of Sports Fisheries and Wildlife. Lethal Dietary Toxicities of Environmental Pollutants to Birds. Special Scientific Report - Wildlife No. 191. Washington, DC: U.S. Government Printing Office, 1975., p. 33
LC50 /Anas platyrhynchos/ (Mallard duck, age 10 days old) oral >5000 ppm in 5 day diet
U.S. Department of the Interior, Fish and Wildlife Service, Bureau of Sports Fisheries and Wildlife. Lethal Dietary Toxicities of Environmental Pollutants to Birds. Special Scientific Report - Wildlife No. 191. Washington, DC: U.S. Government Printing Office, 1975., p. 33
For more Ecotoxicity Values (Complete) data for SIMAZINE (36 total), please visit the HSDB record page.

13.2.3 Ecotoxicity Excerpts

/BIRDS and MAMMALS/ Mallard ducks were exposed to dietary levels of simazine of 2.0 and 20.0 ppm from prior to the onset of egg laying through the normal egg production cycle. Reproductive parameters analyzed were: eggs laid, eggshell cracks, viable embryos, live 3-wk embryos, normal hatchlings, 14 day old survivors, and eggshell thinning. No reproductive impairment was found.
Fink RJ; Toxicol Appl Pharmacol 33 (1): 188 (1975)
/AQUATIC SPECIES/ The presence of atrazine in agricultural sites has been linked to the decline in amphibian populations. The efforts of the scientific community generally are directed toward investigating the long-term effect of atrazine on complex functions (reproduction or respiration), but in the present study, we investigated the short-term effect on the short-circuit current (ISC), a quantitative measure of the ion transport operated by frog (Rana esculenta) skin. Treatment with 5 uM atrazine (1.08 mg/L) does not affect the transepithelial outfluxes of [14C]mannitol or [14C]urea; therefore, atrazine does not damage the barrier properties of frog skin. Atrazine causes a dose-dependent increase in the short-circuit current, with a minimum of 4.64 + or -0.76 uA/sq cm (11.05% + or -1.22%) and a maximum of 12.7 + or -0.7 uA/sq cm (35% + or -2.4%) measured at 10 nM and 5 uM, respectively. An increase in ISC also is caused by 5 uM ametryne, prometryn, simazine, terbuthylazine, or terbutryn (other atrazine derivatives). In particular, atrazine increases the transepithelial 22Na+ influx without affecting the outflux. Finally, stimulation of ISC by atrazine is suppressed by SQ 22536, H89, U73122, 2-aminoethoxydiphenyl borate, and W7 (blockers of adenylate cyclase, protein kinase A, phospholipase C, intracellular Ca2+ increase, and calmodulin, respectively), whereas indomethacin and calphostin C (inhibitors of cyclooxygenase and protein kinase C, respectively) have no effect.
Cassano G et al; Environ Toxicol Chem 25 (2): 509-13 (2006)
/AQUATIC SPECIES/ Three species of freshwater fish, Tilapia mossambica, Punctius ticto and Heteropneustes fossilis, were exposed to simazine at 1, 5 or 10 ppm. At 10 ppm, it caused death in P ticto in about 10 days and in about 19 days in H fossilis. Proposed safe concentration limits are 0.1 ppm for T mossambica and P ticto and 1 ppm for H fossilis.
Upadhyaya A, Rao KS; Int J Environ Stud 15 (3): 236-38 (1980)
/AQUATIC SPECIES/ The median lethal concentration for simazine, expressed as 80% WP formulation, to fingerling striped bass (Morone saxatilis) was >180 mg/L in hard and soft water.
McCann JA; Prog Fish-Cult 42 (3): 180-1 (1980)
For more Ecotoxicity Excerpts (Complete) data for SIMAZINE (26 total), please visit the HSDB record page.

13.2.4 US EPA Regional Screening Levels for Chemical Contaminants

Resident Soil (mg/kg)
4.50e+00
Industrial Soil (mg/kg)
1.90e+01
Tapwater (ug/L)
6.10e-01
MCL (ug/L)
4.00e+00
Risk-based SSL (mg/kg)
3.00e-04
MCL-based SSL (mg/kg)
2.00e-03
Oral Slope Factor (mg/kg-day)-1
1.20e-01
Chronic Oral Reference Dose (mg/kg-day)
5.00e-03
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1
Fraction of Contaminant Absorbed Dermally from Soil
0.1

13.2.5 US EPA Regional Removal Management Levels for Chemical Contaminants

Resident Soil (mg/kg)
4.50e+02
Industrial Soil (mg/kg)
1.90e+03
Tapwater (ug/L)
6.10e+01
MCL (ug/L)
4.00e+00
Oral Slope Factor (mg/kg-day)-1
1.20e-01
Chronic Oral Reference Dose (mg/kg-day)
5.00e-03
Volatile
Volatile
Mutagen
Mutagen
Fraction of Contaminant Absorbed in Gastrointestinal Tract
1
Fraction of Contaminant Absorbed Dermally from Soil
0.1

13.2.6 ICSC Environmental Data

The substance is toxic to aquatic organisms. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal.

13.2.7 Environmental Fate / Exposure Summary

Simazine's production may result in its release to the environment through various waste streams; it's use as a selective systemic herbicide to control germinating annual grasses and broad-leaved weeds will result in its direct release to the environment. If released to air, a vapor pressure of 2.2X10-8 mm Hg at 25 °C indicates simazine will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase simazine will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 35 hours. Particulate-phase simazine will be removed from the atmosphere by wet and dry deposition. 1,3,5-Triazines, such as simazine, have UV absorption bands whose tail extends beyond 290 nm, suggesting a potential for direct photolysis in the atmosphere. If released to soil, simazine is expected to have high to slight mobility based upon Koc values ranging from 78 to 3,559. Sorption was observed to increase with decreasing pH. Volatilization from moist and dry soil surfaces is not expected to occur based upon an estimated Henry's Law constant of 9.4X10-10 atm-cu m/mole and this compound's vapor pressure, respectively. Microbial breakdown in soil results in degradation of simazine at highly variable rates, with half-lives range from 27 to 102 days (median 49 days). Temperature and moisture are the main factors affecting the rates. N-Desethyl simazine and 2-chloro-4,6-bisamino-s-triazine have been identified as metabolites. If released into water, some adsorption of simazine to suspended solids and sediment in the water column is expected based upon the Koc values. Biodegradation in surface water samples from three ponds in Japan, ranged from 0 to 30% and 0 to 24% after four and seven days incubation, respectively. Volatilization of simazine from water surfaces is not expected to occur based upon its estimated Henry's Law constant. BCFs ranging from <1 to 55 suggest bioconcentration in aquatic organisms is low to moderate. Simazine is stable at pH 7 and 9 but the hydrolysis half-life at pH 5 and 25 °C is 70 days. The product of simazine hydrolysis is 2-hydroxy-4,6-bis(ethylamino)-s-triazine. Occupational exposure to simazine may occur through inhalation of dust particles and dermal contact with this herbicide during or after its application or at workplaces where simazine is produced. The general population may be exposed to simazine via ingestion of contaminated drinking water, ingestion of food, and inhalation of ambient air. (SRC)

13.2.8 Artificial Pollution Sources

Simazine's production may result in its release to the environment through various waste streams; it's use as a selective systemic herbicide to control germinating annual grasses and broad-leaved weeds(1) will result in its direct release to the environment(SRC).
(1) Tomlin CDS, ed; The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)

13.2.9 Environmental Fate

TERRESTRIAL FATE: Based on a classification scheme(1), Koc values ranging from 78 to 3,559(2,3), indicate that simazine is expected to have high to slight mobility in soil(SRC). Increasing sorption has been observed with decreasing pH(4). Volatilization of simazine from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 9.4X10-10 atm-cu m/mole(SRC), derived from its vapor pressure, 2.2X10-8 mm Hg(5) and water solubility of 6.2 mg/L(5). Simazine is not expected to volatilize from dry soil surfaces based on its vapor pressure(5). The half-lives for degradation (purportedly mainly soil-catalyzed hydrolysis) of simazine in Hatzenbuhl soil at pH 4.8 and Neuhofen soil at pH 6.5 are 45 and 100 days, respectively(6). Estimated soil hydrolysis half-lives in Wongan Hills loamy sand at 9, 20, and 28 °C were 144, 37, and 21 days, respectively(7). Humic and fulvic acids have been observed to favor the hydrolysis of triazine molecules(8). Microbial breakdown in soil results in degradation of simazine at very variable rates, half-lives range from 27 to 102 days (median 49 days); temperature and moisture are the main factors affecting the rates(5). Complete mineralization of the s-triazine ring to CO2 by microbial degradation of triazine herbicides is typically low, 0.5 to 5%, in soil(2). During 6 months incubation in coarse sandy soils at 15 °C, approx. 4 to 7% of the applied (14)C-ring-labeled-simazine was evolved as (14)CO2(9). Half-lives of simazine in soil biometer studies ranged from 32 to 91 days(10). N-Desethyl simazine and 2-chloro-4,6-bisamino-s-triazine were identified as metabolites(10).
(1) Swann RL et al; Res Rev 85: 23 (1983)
(2) Scribner SL et al; J Environ Qual 21: 115-20 (1992)
(3) Sukop M, Cogge CG; J Environ Sci Health, Part B 27: 565-90 (1992)
(4) Celis R et al; Soil Sci Soc Am J 61: 436-43 (1997)
(5) Tomlin CDS ed; The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
(6) Burkhard N, Guth JA; Pest Sci 12: 45-52 (1981)
(7) Walker SR, Blacklow WM; Aust J Soil Res 32: 1189-1205 (1994)
(8) Calvet R; Environ Health Perspect 83: 145-77 (1989)
(9) Ahonen U, Heinonen-Tanski H; Acta Agric Scand, Sect B 44: 55-60 (1994)
(10) Ruedel H et al; Sci Total Environ 132: 181-200 (1993)
TERRESTRIAL FATE: It has been reported that simazine and other s-triazines can be utilized by certain soil microorganisms as a source of energy(1). Microbial degradation products of simazine in soil include 2-chloro-4-amino-6-ethylamino-1,3,5-triazine and 2,4-dihydroxy-6-amino-1,3,5-triazine(1). Mineralization of 10.4% of (14)C-labeled simazine in 110 days has been reported in a clay-lime soil; no degradation of simazine was detected in a soil suspension test without the addition of glucose as an energy source suggesting that degradation of simazine in these soil experiments was due to co-metabolism(2). Reported persistence of simazine in soil varies from a half-life of <1 month(3) to no degradation being observed in 3.5 months(4). The amount of organic matter in the soil may have a significant effect on the persistence of simazine(3). Additions of 1%, 5%, and 10% leaf compost to soil gave simazine half-lives of about 140, 60, and 40 days, respectively(3).
(1) Kaufman DD, Kearney PC; Res Rev 32: 235-65 (1970)
(2) Fournier JC et al; Volcani Cent 82: 5-13 (1977)
(3) Cohen SZ et al; ASC Symp Ser 259: 297-325 (1984)
(4) LeBaron HM; Res Rev 32: 311-53 (1970)
AQUATIC FATE: Based on a classification scheme(1), Koc values ranging from 78 to 3,559(2,3), indicate that some adsorption of simazine to suspended solids and sediment in the water column is expected(SRC). Increasing sorption has been observed with decreasing pH(14). Simazine is not expected to volatilize from water surfaces(4) based on an estimated Henry's Law constant of 9.4X10-10 atm-cu m/mole(SRC), derived from its vapor pressure, 2.2X10-8 mm Hg(5) and water solubility of 6.2 mg/L(5). According to a classification scheme(6), BCFs ranging from <1 to 55(7-9) suggest bioconcentration in aquatic organisms is low to moderate(SRC). Simazine is stable at pH 7 and 9 but the hydrolysis half-life at pH 5 and 25 °C is 70 days(10). The product of simazine hydrolysis is 2-hydroxy-4,6-bis(ethylamino)-1,3,5-triazine(10). Humic and fulvic acids have been observed to favor the hydrolysis of triazine molecules(11). Biodegradation in surface water samples from three ponds in Nagoya City, Japan, ranged from 0 to 30% after four days incubation; after 7 days incubation, biodegradation ranged from 0 to 24%(12). In Po River water, an initial simazine concentration of 5 ug/L was reduced to 3.1 and 2.5 ug/L after 24 and 384 hours incubation, respectively(13). A pKa of 1.62(5) indicates simazine will exist predominantly in the unionized form under environmental pHs(SRC).
(1) Swann RL et al; Res Rev 85: 23 (1983)
(2) Scribner SL et al; J Environ Qual 21: 115-20 (1992)
(3) Sukop M, Cogge CG; J Environ Sci Health, Part B 27: 565-90 (1992)
(4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 15-1 to 15-29 (1990)
(5) Tomlin CDS, ed. The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
(6) Franke C et al; Chemosphere 29: 1501-14 (1994)
(7) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN #4- 89074-101-1 p. 5-52 (1992)
(8) Reinert KH, Rodgers JH; Rev Environ Contam Toxicol 98: 61-91 (1987)
(9) Rogers CA; Weed Sci 18: 134-6 (1970)
(10) Burkhard N, Guth JA; Pest Sci 12: 45-52 (1981)
(11) Calvet R; Environ Health Perspect 83: 145-77 (1989)
(12) Hashizume K et al; Jpn J Toxicol Environ Health 40: 78-90 (1994)
(13) Brambilla A et al; Sci Total Environ 132: 339-48 (1993)
(14) Celis R et al; Soil Sci Soc Am J 61: 436-43 (1997)
AQUATIC FATE: Dissipation of simazine in pond and lake water was variable, with half-lives ranging from 50 to 700 days. The degradation compound G-28279 /1,3,5-triazine-2,4-diamine, 6-chloro-N-ethyl-; CAS Number 1007-28-9/ was identified in lake water samples.
Ghassemi M et al; Environmental Fates and Impacts of Major Forest Use Pesticides p.768 TRW Environmental Division (1981) EPA/68-02-3174
For more Environmental Fate (Complete) data for SIMAZINE (6 total), please visit the HSDB record page.

13.2.10 Environmental Biodegradation

AEROBIC: Simazine has been confirmed to be resistant to biodegradation in the Japanese MITI test which utilizes inoculum composed of sewage, soil and natural waters(1). Removal of simazine during biological sewage treatment has been reported to be unlikely, even after prolonged exposure to the biota(2). The simazine ring structure is neither cleaved nor utilized by anaerobic microorganisms(3). 14(C)-labeled simazine is slowly mineralized in a clay-lime soil as evidenced by the release of 10.4% of the theoretical yield of (14)CO2 after incubation for 110 days; no degradation of simazine was detected in a soil suspension test without the addition of glucose as an energy source suggesting that degradation of simazine in these soil experiments was due to co-metabolism(4). The products of microbial degradation of simazine in soil include 2-chloro-4-amino-6-ethylamino-1,3,5-triazine and 2,4-dihydroxy-6-amino-1,3,5-triazine(5). It has been reported that simazine and other s-triazines can be utilized by certain soil microorganisms as a source of energy(5). The decrease in simazine concn in a soil-solution enrichment culture microbial degradation system was 18% in 10 days(5). After 150 days incubation in soil lysimeters, only 3% of the applied simazine was present in lysimeter cores taken from a meadow soil, while up to 26% of simazine was present in lysimeter cores taken from a gravel track; the greater degradation in the meadow soil was partially attributed to a higher microbial biomass(6). During 6 months incubation in coarse sandy soils at 15 °C, approx. 4 to 7% of the applied (14)C-ring-labeled-simazine was evolved as (14)CO2(7). Evolution of (14)CO2 during 184 days was 5.8% of the added simazine in fertilized moraine sand soil without previous pesticide treatment and 4.2% in unfertilized(7). In moraine sand previously treated with glyphosate, 6.4% of added simazine was evolved as (14)CO2 in unfertilized soil; 5.5% was evolved as (14)CO2 in fertilized soil(7). 5.1 and 7.1% of applied (14)C-simazine was evolved as (14)CO2 from fertilized and unfertilized sand soils, respectively(7). Complete mineralization of the s-triazine ring to CO2 by microbial degradation of triazine herbicides is typically low, 0.5 to 5%, in soil(8). In a study of bioavailability of simazine, using soil from a 20-year continuous corn field treated annually with simazine, 48% of the added (14)C-simazine was biodegraded during the 34-day incubation period; no biodegradation of the native aged simazine residues was observed(8).
(1) Sasaki S; pp. 283-98 in Aquatic Pollutants. Hutzinger O et al eds. Oxford: Pergamon (1978)
(2) Thom N, Agg AR; Proc R Soc London B 189: 347-57 (1975)
(3) Williams PP; Res Rev 66: 63-135 (1977)
(4) Fournier JC et al; Volcani Cent 82: 5-13 (1977)
(5) Kaufman DD, Kearney PC; Res Rev 32: 235-65 (1970)
(6) Hassink J et al; Chemosphere 28: 285-95 (1994)
(7) Ahonen U, Heinonen-Tanski H; Acta Agric Scand, Sect B 44: 55-60 (1994)
(8) Scribner SL et al; J Environ Qual 21: 115-20 (1992)
AEROBIC: Simazine, at an initial concn of 100 mg/L, reached 0.7% of its theoretical BOD over 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). 4.4, 4.4, and 32.8% biodegradation of simazine was observed following 3, 6, and 9 hours incubation in activated sludge, respectively(2). Using the cultivation method to measure biodegradation in surface water samples from three ponds in Nagoya City, Japan, simazine biodegradation ranged from 0 to 30% after four days incubation; after 7 days incubation, biodegradation ranged from 0 to 24%(3). 90 days after the addition of uniformly ring-labeled (14)C-simazine to Lima silt loam, approx. 7% was mineralized; approx. 17% mineralization was observed after 90 days following a second application of the herbicide to the soil, 90 days after the first(4). Half-lives of simazine in soil biometer systems under standard (simulated outdoor) conditions using a silty loam and a silty sand were 77 (63) and 87 (91) days, respectively; half-lives in outdoor fallow (grown with barley) lysimeters using a silty sand and a silty loam were 32 (35) and 49 (53) days, respectively(5). In the biometer experiments, (14)CO2-evolution in the silty sand under standard (simulated outdoor) conditions was 17 (0.8) and 21 (1.2)% of the initial total radioactivity after 64 and 100 days, respectively; (14)CO2-evolution in the silty loam under standard (simulated outdoor) conditions was (3.6) and 4.9 (4.8)% of the initial total radioactivity after 64 and 100 days, respectively(5). N-Desethyl simazine and 2-chloro-4,6-bisamino-s-triazine were identified as metabolites(5). In Po River water, an initial simazine concn of 5 ug/L was reduced to 3.1 and 2.5 ug/L after 24 and 384 hours incubation, respectively(6). Microbial breakdown in soil results in degradation of simazine at very variable rates, half-lives range from 27 to 102 days (median 49 days); temperature and moisture are the main factors affecting the rates(7). The dissipation rate of simazine was studied in 2 tropical soils obtained from Brazil(8). The time for 50% dissipation, 75% dissipation, and 90% dissipation (DT50, DT75, and DT90, respectively) of simazine applied at a rate of 2 kg/ha to a sandy clay soil (50% sand, 47% clay, 3% silt, pH 5.1) adjusted to 40% of its water holding capacity was 14.2, 28.4, and 49.3 days, respectively(8). The time DT50, DT75, and DT90, of simazine applied at a rate of 2 kg/ha to a sandy loam (86% sand, 13% clay, 1% silt, pH 4.2) adjusted to 40% of its water holding capacity was 26.6, 58.1, and >80 days, respectively(8).
(1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN #4-89074-101-1 p. 5-52 (1992)
(2) Leoni V et al; Sci Total Environ 123/124: 279-89 (1992)
(3) Hashizume K et al; Jpn J Toxicol Environ Health 40: 78-90 (1994)
(4) Robertson BK, Alexander M; Pestic Sci 41: 311-18 (1994)
(5) Ruedel H et al; Sci Total Environ 132: 181-200 (1993)
(6) Brambilla A et al; Sci Total Environ 132: 339-48 (1993)
(7) Tomlin CDS ed; The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
(8) Laabs V et al;J Agric Food Chem 50: 4619-4627 (2002)

13.2.11 Environmental Abiotic Degradation

The rate constant for the vapor-phase reaction of simazine with photochemically-produced hydroxyl radicals has been measured as 1.1X10-11 cu cm/molecule-sec at 25 deg(1). This corresponds to an atmospheric half-life of about 35 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The half-lives for degradation (purportedly mainly soil-catalyzed hydrolysis) of simazine in Hatzenbuhl soil at pH 4.8 and Neuhofen soil at pH 6.5 are 45 and 100 days, respectively(2). Simazine is stable at pH 7 and 9 but the hydrolysis half-life at pH 5 and 25 °C is 70 days(2). The product of simazine hydrolysis is 2-hydroxy-4,6-bis(ethylamino)-1,3,5-triazine(2). The rate of hydrolysis may be increased by various catalysts based upon the observed increase in hydrolysis rates for the chemically similar herbicide atrazine in water solutions upon addition of sterilized soil(3) and humic(4) and fulvic acids(5). Humic and fulvic acids have been observed to favor the hydrolysis of triazine molecules(6). Estimated soil half-lives for simazine, applied at 1.50 mg/kg soil at 20 °C were, days: 70 in Shenton Park sand, 45 in Watheroo sand, 53 in Wongan Hills loamy sand, and 91 in Merredin sandy clay loam; degradation was attributed to chemical hydrolysis since sterilization with gamma radiation had no effect on the rate of degradation(7). Estimated soil hydrolysis half-lives in Wongan Hills loamy sand at 9, 20, and 28 °C were 144, 37, and 21 days, respectively(7). The rate constant for the reaction of simazine with hydroxyl radicals in aqueous solution at 24 °C is 2.8X10+9 L/mol s at pH 3.5(8). This corresponds to a half-life of about 290 days(SRC) at an average aqueous hydroxyl radical concentration of 1X10-17 mol/L(9). Simazine has a pKa of 1.62 at 20 °C(10), indicating it will exist predominantly in the unionized form at environmental pHs(SRC).
(1) Palm WU et al; Ecotoxicol Environ Safety 41: 36-43 (1998)
(2) Burkhard N, Guth JA; Pest Sci 12: 45-52 (1981)
(3) Armstrong DE et al; Soil Science Soc Amer Proc 31: 61-6 (1967)
(4) Li GC, Felbeck GT; Soil Sci 114: 201-8 (1972)
(5) Khan SU; Pestic Sci 9: 39-43 (1978)
(6) Calvet R; Environ Health Perspect 83: 145-77 (1989)
(7) Walker SR, Blacklow WM; Aust J Soil Res 32: 1189-1205 (1994)
(8) Haag WR, Yao CCD; Environ Sci Technol 26: 1005-13 (1992)
(9) Mill T et al; Science 207: 886-7 (1980)
(10) Tomlin CDS ed; The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
Irradiation of simazine in water solution with light at wavelengths 290 nm at 40 °C for 32 hours resulted in a 13% reduction of the simazine concn(1). Irradiation of simazine in saturated aqueous solution at pH 4 in the presence of riboflavin as a photosensitizer with direct outdoor sunlight or in a laboratory with a daylight lamp for 1 hour produced a 25% yield of N-deethylation products which reacted further; no 2-hydroxy derivatives were detected even after several days exposure(2). Photolysis of simazine did not occur in methanol, ethanol, butanol and water at wavelengths > 300 nm(3).
(1) Ruzo LO et al; J Agric Food Chem 21: 1047-9 (1973)
(2) Rejto M et al; J Agric Food Chem 31: 138-42 (1983)
(3) Pape BE, Zabik MJ; J Agric Food Chem 18: 202-7 (1970)

13.2.12 Environmental Bioconcentration

BCFs of 2.3 to 3.2 and 9.7 to 14.6 were measured in carp at 0.1 and 0.01 mg/L, respectively(1). BCFs up to 55 have been reported in the literature(2). BCFs of 0.76 to 0.95 were measured in green sunfish (Lepomas cyanellus)(3), <1 in bluegill sunfish(4), and 5 and 2, in bluegill sunfish and catfish, respectively(2). According to a classification scheme(5), these BCFs suggest the bioconcentration in aquatic organisms is low to moderate(SRC).
(1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology-Toxicology and Information Center. ISBN #4-89074-101-1 p. 5-52 (1992)
(2) Reinert KH, Rodgers JH; Rev Environ Contam Toxicol 98: 61-91 (1987)
(3) Rogers CA; Weed Sci 18: 134-6 (1970)
(4) Mauk WL et al; Bull Environ Contam Toxicol 16: 1-8 (1976)
(5) Franke C et al; Chemosphere 29: 1501-14 (1994)

13.2.13 Soil Adsorption / Mobility

Experimental data indicates that the basicity of s-triazine herbicides, such as simazine, is not the main factor governing adsorption to soil humic acids(1). It has been shown that the ability of s-triazines herbicides to act as electron donors to electron acceptor quinone-like units of humic acids also plays an important role in the adsorption(2). Ferrihydrite does not sorb simazine(3). Freundlich coefficients of 18.2, 4,869, 79.6, and 147.3 were measured on Ca Wyoming smectite, Fe Wyoming smectite, soil humic acid, and Fluka humic acid, respectively(3). Distribution coefficients, Kd, of simazine on Ca Wyoming smectite and Ca Arizona smectite showed increasing sorption with decreasing pH; approx. 0, 13.6, and 48.3% sorption was observed on Ca Arizona smectite at pH values of 5.5, 2.6, and 1.4, respectively, 11.8, 100, and 100% sorption was observed on Ca Wyoming smectite at pH values of 5.5, 2.4, and 1.4, respectively(3). An equilibrium sorption constant of 0.55 was determined in Tampa soil(4). Sorption of simazine onto Candler fine sand increased with increasing ionic strength of the electrolyte; using 1.0 M CaCl2 as an electrolyte for equilibration of soil with herbicides increased simazine sorption 32%, as compared to sorption using 0.01 M CaCl2(5). Simazine sorption onto Candler fine sand increased 27% when the electrolyte KCl concentration was increased from 1.0 to 2.0 M(5). Desorption of simazine in 1.0 M ammonium acetate increased as the electrolyte concentration during sorption was increased(5). In soil column studies, after leaching of 1770 mm of water over a four month period, 87.3, 88,5, and 88.2% of the applied (14)C was recovered in moraine sand, moraine sand, and fine sand, respectively; more than 50% of the applied (14)C was found between 0 and 10 cm(6). In soil lysimeters, after 50 mm rainfall during the first 20 days following simazine application at 2.6 kg/ha, leaching into the deeper soil layers was observed(7).
(1) Senesi N, Testini C; Geoderma 28: 129-46 (1982)
(2) Senesi N, Testini C; Chemosphere 13: 461-8 (1984)
(3) Celis R et al; Soil Sci Soc Am J 61: 436-43 (1997)
(4) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993)
(5) Alva AK, Singh M; J Environ Sci Health B26: 147-63 (1991)
(6) Ahonen U, Heinonen-Tanski H; Acta Agric Scand, Sect B 44: 55-60 (1994)
(7) Hassink J et al; Chemosphere 28: 285-95 (1994)
The average Koc of simazine in 174 soils was reported as 135(1) and an average value of 138 was reported for 147 soils(2). Based upon soil column, soil thin-layer chromatography, and Koc experiments, the mobility of simazine is expected to vary from slight to high in soil-types ranging from clay soils to sandy loam soils, respectively(3). Adsorption of simazine in soil has been observed to increase as titratable acidity, organic matter and, to a lesser extent, cation exchange capacity, and clay content of the soil increased(3,4,5). Soil structural effects may be more important than adsorption in determining movement of simazine in some soils(6). Simazine has been observed to leach to >60 cm under field conditions in loam and silty clay loam soils(7). However, in another set of field experiments with a sandy loam soil and a clay soil, very little simazine movement was observed with nearly all of it remaining in the top 3 cm of the soil(7). Simazine exhibited low to intermediate mobility in soil thin-layer chromatography and soil-column leaching experiments with loam, silty clay loam, sandy clay loam, silt loam, silty clay, and clay loam soils in which the Rf range for simazine was 0.16 to 0.51; simazine was mobile to very mobile in sandy loam soil with Rf ranging between 0.80 to 0.96(8,9,10). In Taichung loam soil (0.94% organic matter, 21.8% clay, 46.2% silt, 32.0% sand, pH 6.5) under unsaturated conditions, 0.09% simazine residues reached a soil depth of 4 to 5 cm after 28 days; simazine residues were not detected at soil depths >4 cm after 56 and 84 days(11).
(1) Hamaker JW, Thompson JM; pp. 49-144 in Organic Chemicals in the Soil Environment. Goring CAI, Hamaker JW eds (1972)
(2) Rao PSC, Davidson JM; Retention and transformation of selected pesticides and phosphorus in soil-water systems. USEPA-600/S3-82-060 (1982)
(3) USEPA; pp. 706-8 in Drinking Water Health Advisory: Pesticides. USEPA Off Drink Water Advisories. Chelsea,MI: Lewis Pub (1989)
(4) Weber JB; Res Rev 32: 93-130 (1970)
(5) Helling CS; Res Rev 32: 175-210 (1970)
(6) Hance RJ et al; Weed Res 21: 289-97 (1981)
(7) Burnside OC et al; Weeds 11: 209-13 (1963)
(8) Helling CS; Soil Sci Soc Amer Proc 35: 737-43 (1971)
(9) Helling CS, Dragun J; pp. 43-88 in Test Protocols for Environmental Fate and Movement of Toxicants. Proc Symp AOAC (1981)
(10) Helling CS, Turner BC; Science 162: 562-3 (1968)
(11) Wang YS et al; Bull Environ Contam Toxicol 55: 351-8 (1996)
Koc values ranging from 330 to 840 were calculated for simazine, in 0.005 M CaCl2, from adsorption isotherms following 1 day equilibration in five soils of the Gnangara Mound, western Australia(1). Koc values ranging from 103 to 277 were determined in 12 soils, median 160(2). A mean Koc of 1054 was determined in two sandy loam soils(3). In one soil Koc values ranged from 247 (depth 0 to 30 cm) to 3,559 (depth 165+ cm); Koc values in the second soil ranged from 361 (depth 0 to 27 cm) to 1,690 (depth 53 to 61 cm)(3). Koc values of 78 and 80 were measured using the sorption isotherms for (14)C-simazine in Capac soil following 24 and 48 hours equilibration, respectively(4). Koc values of 1,340 and 1,182 were measured using the desorption of aged simazine residues in Capac soil, with over 20 continuous years of annual simazine application, following 24 and 48 hours equilibration, respectively(4). According to a classification scheme(5), these Koc values suggest that simazine is expected to have high to slight mobility in soil(SRC). The total release of aged simazine from Capac soil with over 20 continuous years of annual simazine application was 32% of the predicted equilibrium concentration after 16 days; in contrast, desorption of recently added simazine was within 90% of the calculated equilibrium concentration within 1 to 24 hours(4).
(1) Gerritse RG et al; Aust J Soil Res 34: 599-607 (1996)
(2) Tomlin CDS, ed. The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
(3) Sukop M, Cogge CG; J Environ Sci Health, Part B 27: 565-90 (1992)
(4) Scribner SL et al; J Environ Qual 21: 115-20 (1992)
(5) Swann RL et al; Res Rev 85: 23 (1983)

13.2.14 Volatilization from Water / Soil

THE EFFECT OF MOISTURE ON VOLATILITIES OF SEVEN S-TRIAZINES WAS DETERMINED AT 45 °C ON TIFTON LOAMY SAND. ON WET SOIL THE ORDER OF LOSS OF HERBICIDES WAS TRETAZINE > ATRAZINE > AMETRYN APPROX EQUAL TO PROPAZINE APPROX EQUAL TO PROMETRYN APPROX EQUAL TO PROMETONE > SIMAZINE, WHEREAS ON DRY SOIL THE LOSSES WERE NOT AS EXTENSIVE. THE ORDER WAS TRIETAZINE > PROPAZINE > ATRAZINE APPROX EQUAL TO SIMAZINE APPROX EQUAL TO PROMETONE > AMETRYN APPROX EQUAL TO PROMETRYN. ADSORPTION AND WATER SOLUBILITY WERE SUGGESTED AS FACTORS THAT CAN AFFECT THE RATE OF VAPORIZATION OF THESE HERBICIDES.
Kearney, P.C., and D. D. Kaufman (eds.) Herbicides: Chemistry, Degredation and Mode of Action. Volumes 1 and 2. 2nd ed. New York: Marcel Dekker, Inc., 1975., p. 924
The Henry's Law constant for simazine is estimated as 9.4X10-10 atm-cu m/mole(SRC) derived from its vapor pressure, 2.2X10-8 mm Hg(1), and water solubility, 6.2 mg/L(1). This Henry's Law constant indicates that simazine is expected to be essentially nonvolatile from water and moist soil surfaces(2). Simazine is not expected to volatilize from dry soil surfaces based on its vapor pressure(1).
(1) Tomlin CDS, ed; The Pesticide Manual, 11th ed. The British Crop Protection Council p. 1106 (1997)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

13.2.15 Environmental Water Concentrations

DRINKING WATER: Simazine has been identified at trace levels (<0.1 ppb) in 3 New Orleans, LA drinking water supplies sampled in 1974(1). In a nationwide survey of pesticides in drinking water wells, simazine was detected in community water system wells (1.1%) and rural domestic wells (0.2%)(2). Simazine was detected in 2 water samples collected from 240 private wells in rural IL from March 1990 through Feb 1991 at concns of 0.24 and 0.76 ug/L(3). Simazine residues were verified in 142 wells in 9 counties in CA out of 2,203 wells sampled in 42 counties; concns of verified detections ranged from 0.05 to 0.86 ppb(4). Simazine was detected in 45.3% of Belgian drinking water samples collected between 1991 and 1993 at a mean concn of 0.00005 ppm; max concn 0.0002 ppm(5). Simazine was detected in water samples from 5 out of 102 farm wells in Kings County, Nova Scotia, Canada(6). It was detected in 32 water supply wells sampled between 1984 and 1990 in the State of CA at a max concn of 28 ug/L(7). Simazine was detected in drinking water in 1993 by European drinking water companies, number of samples >0.1 ug/L: 32 Anglian; 1 North West; 7 Severn-Trent; and 3,652 Thames(8). Simazine was detected in 66 of 6,158 water samples from public drinking water sources in CA at concns ranging from 0.06 to 28.0 ug/L; mean 0.75, median 0.50 ug/L(9). Annual avg simazine concn in CA public drinking water sources were, ug/L: 0.0 in 1984, 0.72 in 1985, 0.54 in 1986, 0.42 in 1987, 1.21 in 1988, 0.65 in 1989, 0.67 in 1990, 0.55 in 1991, and 0.35 in 1992(9). Simazine was detected in the low ppb range in public drinking water wells located in Glassboro, NJ(10). Simazine was detected in water from 693 out of 10,403 drinking water wells in the state of California at levels ranging from 0.02 to 4.5 ug/L(11).
(1) Keith LH et al; pp. 329-73 in Identification and Analysis of Organic Pollutants in Water, Keith LH ed, Ann Arbor Sci Publ (1976)
(2) USEPA; Pesticides in Groundwater Database. A Compilation of Monitoring Studies: 1971-1991. National Summary. USEPA Off Pest Programs Prevention Pesticides and Toxic Substances (H7507C) USEPA-734-12-92-001 (1992)
(3) Mehnert E et al; Groundwater Monit Remed 15: 142-9 (1995)
(4) California EPA; California EPA, Dept Pesticide Regulation, 10th Annual Report (1995)
(5) Dejonckeere W et al; J AOAC Intl 79: 97-110 (1996)
(6) Briggins DR, Moerman DE; Water Qual Res J Canada 30: 429-42 (1995)
(7) Lam RHF et al; pp. 15-44 in Water Contamination and Health, Wang RGM ed, NY,NY: Marcel Dekker, Inc (1994)
(8) White SL, Pinkstone DC; BCPC Monogr 62: 263-8 (1995)
(9) Storm DL; pp. 67-124 in Water Contamination and Health, Wang RGM, ed, Marcel Dekker, Inc (1994)
(10) Stackelberg PE et al; Environ Toxicol Chem 20: 853-865 (2001)
(11) Troiano J et al; J Environ Qual 30: 448-459 (2001)
GROUNDWATER: Simazine has been found in groundwater from new wells in the Northern Italy province of Bergamo at a concn range of 0 to 200 parts/trillion(1). Simazine was detected in 5 of 237 wells in Ontario, Canada during 1969 to 1978 with 3 samples in the concn range of 0.1 to 1.0 ug/L, 1 sample was in the concn range of 1.1 to 10 ug/L, and one sample was in the concn range of greater than 10,000 ug/L(2). Simazine was detected in 4 of 112 wells suspected of contamination due to runoff and spray drift between 1979 and 1984 in rural Ontario, Canada; concn in 3 of the shallow wells were 0.1, 2.8, and 6.0 ug/L, respectively(3). Simazine was detected in groundwater samples from 7 out of 79 wells in New Zealand in 1994 at concns ranging from 0.06 to 1.6 mg/cu m(4). In a groundwater monitoring program carried out from 1985 to 1992 in southwestern Ontario, Canada, simazine was detected in water samples drawn from piezometers (located adjacent to fields in the sand plain areas) at max concns of 6.2, 2.2, 1.5, 15.3, and 3.6 ug/L in 1988, 1989, 1990, 1991, and 1992, respectively(5). Simazine was detected in approx. 22% of groundwater samples collected from alluvial wells in the Denver, CO metropolitan area at a max concn of 0.068 ug/L(6). Simazine has been detected in groundwater samples from various agricultural sites in Germany, ug/L (site, agricultural use): 1.4 (Coswig, decorative plants); 0.31 (Meiben, apple); 0.25 (Weinbohla, field forage); 0.18 and 0.6 (Coswig, cauliflower, strawberries, and kohlrabi); 0.1 (Brockwitz, pasture and strawberries); 0.12 and 2.9 (Weinbohla, strawberries and forage); 1.9 (Sornewitz and cereals)(7). Groundwater samples from 7 out of 9 agricultural sites in Germany, collected in Oct 1990, contained simazine at concns ranging from 0.05 to 5.0 ug/L(7). Simazine was detected in 1.2% of 303 groundwater wells sampled in the U.S. between 1991 and 1992(8). Simazine was detected in groundwater samples collected from the San Joaquin Valley, CA in 1985 to 1987; concns ranged from 0.1 to 1.1 ug/L(9).
(1) Bagnati R et al; Chemosphere 17: 59-65 (1988)
(2) Frank R et al; Pestic Monit J 13: 120-7 (1979)
(3) Frank R et al; Arch Environ Contam Toxicol 16: 9-22 (1987)
(4) Close ME; N Z J Mar Freshwater Res 30: 455-61 (1996)
(5) Lampman W; Water Qual Res J Canada 30: 443-68 (1995)
(6) Bruce BW, McMahon PB; J Hydrol 186: 129-51 (1996)
(7) Beitz H et al; Chemistry of Plant Protection, Borner H, ed. Berlin, Germany: Springer-Verlag 9(Pesticides in Ground and Surface Water): 3-56 (1994)
(8) Goolsby DA et al; Preprints of Papers presented at the 209th ACS National Meeting; Anaheim, CA 35: 278-81 (1995)
(9) Domagalski JL, Dubrovsky; J Hydrol 130: 299-338 (1992)
GROUNDWATER: Concns of simazine in water samples taken from groundwater bores and springs in Germany ranged from <0.01 to 0.2 ug/L(1). Simazine was detected in 287 water wells in California between 1975 to 1991; max concn detected was 19 ug/L(2). Simazine was detected in 2.6% of the 303 midwestern groundwater wells sampled between 1991 and 1994 at a max concn of 0.27 ug/L(3). Simazine was detected in groundwater in seven states (CA, CT, MD, NE, NJ, PA, VT) at a max concn of 9.10 ppb; median concn of positive detections 0.30 ppb(4). It was detected in 14 of 174 well water samples collected throughout NE at a median concn of 0.10 ppb, avg 0.17 ppb(5). Simazine was detected in 6.3% of 7,848 groundwater samples collected from 1991-1996 in the Central Platte Valley of Nebraska at a maximum concn of 0.71 ug/L(6).
(1) Leistra M, Boesten JJTI; Agr Ecosyst Environ 26: 369-89 (1989)
(2) Lam RHF et al; pp. 15-44 in Water Contamination and Health, Wang RGM, ed, Marcel Dekker, Inc (1994)
(3) Kolpin DW et al; Environ Sci Technol 30: 335-40 (1996)
(4) Williams WM et al; Pesticides in Groundwater Database: 1988 Interim Report, NTIS PB89 164230 AS (1988)
(5) Spalding RF et al; Ground Water Monit Rev 9: 126-33 (1989)
(6) Spalding RF et al; J Environ Qual 32: 92-99 (2003)
SURFACE WATER: Simazine was detected in the following numbers of samples out of 708 total samples from Central European streams in spring 1976 to fall 1977 within the indicated concn ranges: 7 samples 1.1 to 10 ppb; 25 samples 0.4 to 1.0 ppb; 86 samples <0.4 ppb(1). Simazine was found in Swedish stream waters (1985 to 1987) in 3 of 153 samples taken during July to Sept at a max concn of 1.1 ppb and not detected in 106 samples taken during April to May and in Oct(2). Simazine was detected, not quantified, in 37% of creek water samples from the Hillman Creek watershed in southwestern Ontario, Canada(3). The residues were consistently higher at upstream sites than at the mouth(3). Simazine was found in 9.3% of samples of waters collected from 11 agricultural watersheds in Ontario, Canada during 1975 to 1976 at a max concn of 3.4 ng/L(4). The avg concn ranged from not detected to 0.04 ng/L and from not detected to 0.37 ng/L during May 1975 to April 1976 and May 1976 to April 1977, respectively, and the overall avgs were 0.02 and 0.06 ng/L, respectively(4). Simazine was detected in 27 out of 105 samples of river water collected from seven rivers flowing into Lake Biwa, Japan in April 1993 to March 1994(5). Simazine was detected in water samples collected from Lake Erie tributaries draining an agricultural watershed between April 1983 to Dec 1991; max concns were 2.374 ug/L in the Maumee River, 6.006 ug/L in the Snadusky River, 6.493 ug/L in Honey Creek, 3.683 ug/L in Rock Creek, 6.991 ug/L in Lost Creek, 2.530 ug/L in the Cuyahoga River, and 1.033 ug/L in the Raisin River(6). The net avg concn of simazine in water samples collected from a stream flowing through a golf course in Japan from April 1989 to March 1990 was 0.92 ug/L(7). Simazine was detected in 58% of water samples collected from the Susquehanna River fall line at concns ranging from 2 to 91 ng/L, mean 24 ng/L; max concn occurred in May(8). Simazine was detected in 80% of water samples collected from the Potomac River fall line at concns ranging from 6 to 140 ng/L, mean 62 ng/L; max concn occurred in June(8). Simazine was detected in 50% of water samples collected from the James River fall line at concns ranging from 3 to 370 ng/L, mean 6 ng/L; max concn occurred in April(8). In 1993, simazine was detected in 11.8% of the 17 water samples from Hungerford Brook, VT at a mean concn of 0.15 ug/L; range 0.1 to 0.2 ug/L(9). It was detected in 25% of 339 samples collected from 150 midwestern streams between 1989 and 1990, in 30% of 230 samples collected from the Mississippi River at Baton Rouge, LA between 1991 and 1994, and in 17% of 456 water samples collected from 76 reservoirs in 1992 and 1993(10).
(1) Hormann WD et al; Pestic Monit J 13: 128-31 (1979)
(2) Kreuger J, Brink N; Vaextskyddsrapp Jordbruk 49: 50-61 (1988)
(3) Roberts GC et al; J Great Lakes Res 5: 246-55 (1979)
(4) Frank R et al; J Environ Qual 11: 497-505 (1982)
(5) Tsuda T et al; Bull Environ Contam Toxicol 57: 442-9 (1996)
(6) Richards RP, Baker DB; Environ Toxicol Chem 12: 13-26 (1993)
(7) Sudo M, Kunimatsu T; Water Sci Technol 25: 85-92 (1992)
(8) Foster GD, Lippa KA; J Agric Food Chem 44: 2447-54 (1996)
(9) Gruessner B, Watzin MC; Environ Sci Technol 29: 2806-13 (1995)
(10) Goolsby DA et al; Preprints of Papers presented at the 209th ACS Natl Mtg. Anaheim,CA 35: 278-81 (1995)
For more Environmental Water Concentrations (Complete) data for SIMAZINE (8 total), please visit the HSDB record page.

13.2.16 Effluent Concentrations

Simazine was detected in 6 of 48 wells suspected of contamination due to spills between 1979 and 1984 in rural Ontario, Canada(1). Simazine was detected, not quantified, in 1 (oil refinery final effluent) of 10 final effluents from industrial plants and publicly-owned treatment works in the US in 1980(2). Whereas simazine was not detected in a sample of industrial effluent nor in the water of the river into which the effluent was discharged, it was detected at 1,000 and 10 ppm in the sediment of the river 1.5 km downstream from the plant and near a nearby dam, respectively(3).
(1) Frank R et al; Arch Environ Contam Toxicol 16: 9-22 (1987)
(2) Ellis DD et al; Arch Environ Contam Toxicol 11: 373-82 (1982)
(3) Hites RA, Lopez-Avila in Contaminants and Sediments Vol 1. Baker RA ed. Ann Arbor MI: Ann Arbor Press (1980)

13.2.17 Sediment / Soil Concentrations

SOIL: Simazine was detected in a sandy loam soil used to grow corn collected at Franklin, CT at concns of 6.9 and 10.2 ppb at soil depths of 0 to 0.9 and 5.9 to 7.5 ft, respectively(1). Simazine was detected in 50 of 822 soil samples collected from 49 agrichemical facilities located throughout IL at a median concn of 73 ug/kg, range 18 to 72,100 ug/kg(2). Simazine was detected at levels of 282 to 1,509 ng/g in fields near Kearneysville, WV that had been treated with simazine from 1981-1995(3).
(1) Huang LQ, Frink CR; Bull Environ Toxicol 43: 159-64 (1989)
(2) Krapac IG et al; J Soil Contam 4: 209-26 (1995)
(3) Tworkoski TJ et al; Weed Technol 14: 191-196 (2000)
SEDIMENT: The U.S. EPA STORET database has reported the occurrence of simazine in 382 samples of surface water mud at an avg concn of 1.3 ug/kg; range of not detected to 500 ug/kg(1). The National surface water monitoring program from 1976 to 1980 reported the detection of simazine in 0.2% of the sediment samples collected in the USA at a max concn of 0.1 ppb(2). Simazine was detected in sediment collected from the German Wadden Sea in Sept 1993 at concns ranging from 11 to 400 ng/kg wet weight(3). Simazine was detected in sediment samples from 3 of 5 Essex salt marsh sites, UK, max concn: Walton-on-the-Naze, 2.1 ng/g; Tollesbury Wall, 10.1 ng/g; and South Woodham Ferrers, 15.3 ng/g(4). It was also detected in mud flat cores at Walton-on-the-Naze at a concn of 0.1 ng/g dry weight and vegetated marsh creek cores at Tollesbury Wall at a concn of 2.0 ng/g dry weight(4).
(1) USEPA; STORET Data Base (1983)
(2) Carey AE, Kutz FW; Environ Mont Assess 5: 155-63 (1985)
(3) Bester K, Huhnerfuss H; Chemosphere 32: 1919-28 (1996)
(4) Fletcher CA et al; Sci Total Environ 155: 61-72 (1994)

13.2.18 Atmospheric Concentrations

URBAN/SUBURBAN: Simazine was detected in samples of ambient air from Kitakyushu City, Japan at concns of 0.14 and 0.58 ng/cu m in July 1991 and April 1992, respectively(1). The geometric mean atmospheric concentration of simazine for a compilation of urban and rural communities was reported as 0.0026 ug/cu m, with a range of values of <0.0042 to 0.018 ug/cu m(2). Simazine was not detected in 24 samples of urban air obtained from various locations in California(3). Simazine was analyzed for, but not detected in air over the Mississippi River sampled from New Orleans, LA to St Paul, MN in 1994(4).
(1) Haraguchi K et al; Atmos Environ 28: 1319-25 (1994)
(2) Lee S et al; Environ Health Perspect 110: 1175-1184 (2002)
(3) Lee S et al; Environ Health Perspect 110: 1175-1184 (2002)
(4) Majewski MS et al; Environ Sci Technol 32: 3689-3698 (1994)
RURAL/REMOTE: Vapor phase concns of simazine at La Ferte sous Jouarre (France) between 1992 and 1993 ranged from <0.03 to 3 ng/cu m(1). Simazine was identified, not quantified, in air samples obtained from Eagle Harbor, MI(2). Simazine was detected in 21 out of 96 atmospheric samples obtained in rural areas of California at a mean concn of 0.0029 ug/cu m (range: <0.0042-0.018 ug/cu m)(3). Simazine was identified, not quantified in air samples obtained from the French Alps region(4).
(1) Chevreuil M et al; Sci Total Environ 182: 25-37 (1996)
(2) Foreman WT et al; Sci Total Environ 248: 213-216 (2000)
(3) Lee S et al; Environ Health Perspect 110: 1175-1184 (2002)
(4) Masclet P; Contamination of Lake Water by Pesticides Via Atmospheric Transport.; In: Geosci Water Resour. Bardinet C, Rroyer JJ eds. Springer: Berlin, Germany, pp. 85-92(1997)

13.2.19 Food Survey Values

Simazine was not detected (detection limit 10 ppb) in 25 composite samples of Ontario-grown potatoes analyzed in 1983-1985(1). Simazine was detected in 1 out of 862 samples of domestic oranges in 1985 to 1991 at a concn of 0.10 ppm(2). Simazine was identified, not quantified, in an unspecified number of food items in the 2002 and 2003 FDA Market Basket Survey(3). Simazine was identified, not quantified, in 40% of wheat samples collected from different locations in Saudi Arabia(4). Simazine was detected in 3 out of 13,980 food samples analyzed by six states (CA, FL, MA, NY, VA, and WI) for fiscal year 1988(5).
(1) Frank R et al; J Assoc Off Anal Chem 70: 1081-6 (1987)
(2) Yess NJ et al; J AOAC Intl 76: 492-507 (1993)
(3) FDA Pesticide Program Residue Monitoring 2003. Available at: https://www.cfsan.fda.gov/~dms/pesrpts.html as of June 12, 2007
(4) Al-Saleh I et al; Bull Environ Contam Toxicol 63: 451-459 (1999)
(5) Minyard JP, Roberts WE; J Assoc Off Anal Chem 74: 438-452 (1991)

13.2.20 Milk Concentrations

In a goat dosed for 10 days with [14C]simazine at a dose equivalent of 5 ppm [12x the maximum theoretical dietary burden (MTDB)], total radioactive residue (TRR) in milk plateaued by Day 5 at 0.10 ppm. ...In another study, a goat was dosed for 7 days with [14C]simazine at a dose equivalent to 50 ppm in the diet (119x). TRR in milk ranged from 0.71-1.07 ppm during the 7-day dosing period.
USEPA/Office of Pesticides and Toxic Substances; Simazine: Revised Preliminary HED Chapter of the Reregistration Eligibility Decision Document (RED); Document ID: EPA-HQ-OPP-2005-0151-0023 p.16 (May 31, 2005). Available from the Query page at https://www.regulations.gov/fdmspublic/component/main as of June 6, 2007.

13.2.21 Other Environmental Concentrations

Extinguishing water used to fight a chemical fire in an industrial storage complex in a suburb of Antwerp, Belgium contained simazine; concn was not reported(1).
(1) Selala MI et al; Bull Environ Contam Toxicol 51: 325-32 (1993)

13.2.22 Probable Routes of Human Exposure

Those involved in manufacture, formulation & application of this ... herbicide.
Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 1985. 2nd ed. Park Ridge, NJ: Noyes Data Corporation, 1985., p. 791
NIOSH (NOES Survey 1981-1983) has statistically estimated that 357 workers (none of these are female) are potentially exposed to simazine in the US(1). The NOES Survey does not include farmworkers or pesticide applicators. Occupational exposure to simazine may occur through inhalation of dust particles and dermal contact with this herbicide during or after its application or at workplaces where simazine is produced or used(SRC). The general population may be exposed to simazine via ingestion of contaminated drinking water, ingestion of food, and inhalation of ambient air(SRC).
(1) NIOSH; National Occupational Exposure Survey (NOES) (1983)

14 Associated Disorders and Diseases

15 Literature

15.1 Consolidated References

15.2 NLM Curated PubMed Citations

15.3 Springer Nature References

15.4 Thieme References

15.5 Chemical Co-Occurrences in Literature

15.6 Chemical-Gene Co-Occurrences in Literature

15.7 Chemical-Disease Co-Occurrences in Literature

16 Patents

16.1 Depositor-Supplied Patent Identifiers

16.2 WIPO PATENTSCOPE

16.3 Chemical Co-Occurrences in Patents

16.4 Chemical-Disease Co-Occurrences in Patents

16.5 Chemical-Gene Co-Occurrences in Patents

17 Interactions and Pathways

17.1 Chemical-Target Interactions

17.2 Pathways

18 Biological Test Results

18.1 BioAssay Results

19 Classification

19.1 MeSH Tree

19.2 ChEBI Ontology

19.3 KEGG: EDC

19.4 KEGG: Pesticides

19.5 ChemIDplus

19.6 CAMEO Chemicals

19.7 ChEMBL Target Tree

19.8 UN GHS Classification

19.9 EPA CPDat Classification

19.10 NORMAN Suspect List Exchange Classification

19.11 CCSBase Classification

19.12 EPA DSSTox Classification

19.13 International Agency for Research on Cancer (IARC) Classification

19.14 Consumer Product Information Database Classification

19.15 EPA TSCA and CDR Classification

19.16 EPA Substance Registry Services Tree

19.17 MolGenie Organic Chemistry Ontology

20 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
    https://services.industrialchemicals.gov.au/search-assessments/
  2. CAMEO Chemicals
    LICENSE
    CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.
    https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false
    CAMEO Chemical Reactivity Classification
    https://cameochemicals.noaa.gov/browse/react
  3. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
  4. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  5. DTP/NCI
    LICENSE
    Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.
    https://www.cancer.gov/policies/copyright-reuse
  6. EPA Chemicals under the TSCA
    1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  7. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  8. EPA Integrated Risk Information System (IRIS)
  9. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
  10. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  11. Hazardous Substances Data Bank (HSDB)
  12. ILO-WHO International Chemical Safety Cards (ICSCs)
  13. New Zealand Environmental Protection Authority (EPA)
    LICENSE
    This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.
    https://www.epa.govt.nz/about-this-site/general-copyright-statement/
  14. NJDOH RTK Hazardous Substance List
  15. Occupational Safety and Health Administration (OSHA)
    LICENSE
    Materials created by the federal government are generally part of the public domain and may be used, reproduced and distributed without permission. Therefore, content on this website which is in the public domain may be used without the prior permission of the U.S. Department of Labor (DOL). Warning: Some content - including both images and text - may be the copyrighted property of others and used by the DOL under a license.
    https://www.dol.gov/general/aboutdol/copyright
  16. Risk Assessment Information System (RAIS)
    LICENSE
    This work has been sponsored by the U.S. Department of Energy (DOE), Office of Environmental Management, Oak Ridge Operations (ORO) Office through a joint collaboration between United Cleanup Oak Ridge LLC (UCOR), Oak Ridge National Laboratory (ORNL), and The University of Tennessee, Ecology and Evolutionary Biology, The Institute for Environmental Modeling (TIEM). All rights reserved.
    https://rais.ornl.gov/
  17. California Office of Environmental Health Hazard Assessment (OEHHA)
  18. ChEBI
  19. Toxin and Toxin Target Database (T3DB)
    LICENSE
    T3DB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (T3DB) and the original publication.
    http://www.t3db.ca/downloads
  20. California Safe Cosmetics Program (CSCP) Product Database
  21. EU Pesticides Database
  22. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
  23. CCSbase
    CCSbase Classification
    https://ccsbase.net/
  24. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    simazine
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  25. ChEMBL
    LICENSE
    Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).
    http://www.ebi.ac.uk/Information/termsofuse.html
  26. Comparative Toxicogenomics Database (CTD)
    LICENSE
    It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.
    http://ctdbase.org/about/legal.jsp
  27. Drug Gene Interaction database (DGIdb)
    LICENSE
    The data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.
    http://www.dgidb.org/downloads
  28. Consumer Product Information Database (CPID)
    LICENSE
    Copyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  29. Crystallography Open Database (COD)
    LICENSE
    All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.
    https://creativecommons.org/publicdomain/zero/1.0/
  30. EPA Chemical and Products Database (CPDat)
  31. EPA Pesticide Ecotoxicity Database
  32. EPA Regional Screening Levels for Chemical Contaminants at Superfund Sites
  33. USDA Pesticide Data Program
  34. USGS Health-Based Screening Levels for Evaluating Water-Quality Data
  35. Hazardous Chemical Information System (HCIS), Safe Work Australia
  36. NITE-CMC
    2-chloro-4,6-bis(ethylamino)-1,3,5-triazine - FY2006 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/06-imcg-0379e.html
  37. Regulation (EC) No 1272/2008 of the European Parliament and of the Council
    LICENSE
    The copyright for the editorial content of this source, the summaries of EU legislation and the consolidated texts, which is owned by the EU, is licensed under the Creative Commons Attribution 4.0 International licence.
    https://eur-lex.europa.eu/content/legal-notice/legal-notice.html
    simazine (ISO); 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
    https://eur-lex.europa.eu/eli/reg/2008/1272/oj
  38. FooDB
    LICENSE
    FooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.
    https://foodb.ca/about
    2-alpha-hydroxy-3-beta-{[(2Z)-3-phenyl-1-oxo-2-propenyl]oxy}olean-12-en-28-oic acid
    https://foodb.ca/compounds/FDB097211
  39. Human Metabolome Database (HMDB)
    LICENSE
    HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.
    http://www.hmdb.ca/citing
  40. NIST Mass Spectrometry Data Center
    LICENSE
    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
  41. International Agency for Research on Cancer (IARC)
    LICENSE
    Materials made available by IARC/WHO enjoy copyright protection under the Berne Convention for the Protection of Literature and Artistic Works, under other international conventions, and under national laws on copyright and neighbouring rights. IARC exercises copyright over its Materials to make sure that they are used in accordance with the Agency's principles. All rights are reserved.
    https://publications.iarc.fr/Terms-Of-Use
    IARC Classification
    https://www.iarc.fr/
  42. Japan Chemical Substance Dictionary (Nikkaji)
  43. KEGG
    LICENSE
    Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license
    https://www.kegg.jp/kegg/legal.html
  44. Kruve Lab, Ionization & Mass Spectrometry, Stockholm University
    simazine
  45. MassBank Europe
  46. MassBank of North America (MoNA)
    LICENSE
    The content of the MoNA database is licensed under CC BY 4.0.
    https://mona.fiehnlab.ucdavis.edu/documentation/license
  47. SpectraBase
    2,4-bis(ethylamino)-6-chloro-s-trazine
    https://spectrabase.com/spectrum/AaIsKal6RhK
    S-TRIAZINE, 2,4-BIS/ETHYLAMINO/- 6-CHLORO-,
    https://spectrabase.com/spectrum/5aGHvCEvHuf
  48. Metabolomics Workbench
  49. NIOSH Manual of Analytical Methods
    LICENSE
    The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.
    https://www.cdc.gov/Other/disclaimer.html
  50. USGS Columbia Environmental Research Center
  51. Springer Nature
  52. SpringerMaterials
  53. Thieme Chemistry
    LICENSE
    The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc-nd/4.0/
  54. Wikidata
  55. Wikipedia
  56. Medical Subject Headings (MeSH)
    LICENSE
    Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
    https://www.nlm.nih.gov/copyright.html
  57. PubChem
  58. GHS Classification (UNECE)
  59. EPA Substance Registry Services
  60. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  61. PATENTSCOPE (WIPO)
CONTENTS