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Propionic Acid

PubChem CID
1032
Structure
Propionic Acid_small.png
Propionic Acid_3D_Structure.png
Propionic Acid__Crystal_Structure.png
Molecular Formula
Synonyms
  • propionic acid
  • Propanoic acid
  • 79-09-4
  • ethylformic acid
  • methylacetic acid
Molecular Weight
74.08 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2004-09-16
  • Modify:
    2024-12-27
Description
Propionic acid is a colorless liquid with a sharp rancid odor. Produces irritating vapor. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
Propionic acid, [solution] appears as a clear oily aqueous liquid with a pungent rancid odor. Burns skin and the vapors irritate mucous membranes. Corrosive to most metals and tissue.
Propionic acid is a short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. It has a role as an antifungal drug. It is a short-chain fatty acid and a saturated fatty acid. It is a conjugate acid of a propionate.

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Propionic Acid.png

1.2 3D Conformer

1.3 Crystal Structures

1 of 2
View All
COD Number
Associated Article
Strieter, F. J.; Templeton, D. H.; Scheuerman, R. F.; Sass, R. L.. The crystal structure of propionic acid. Acta Crystallographica 1962;15(12):1233-1239. DOI: 10.1107/S0365110X62003278
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
4.04 Å
b
9.06 Å
c
11.0 Å
α
90 °
β
91.25 °
γ
90 °
Z
4
Z'
1

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

propanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

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

2.1.4 SMILES

CCC(=O)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)

2.2 Molecular Formula

C3H6O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)

C3H6O2

CH3CH2COOH

2.3 Other Identifiers

2.3.1 CAS

79-09-4
68937-68-8
68990-37-4

2.3.3 Deprecated CAS

1032826-44-0, 784139-72-6

2.3.4 European Community (EC) Number

201-176-3

2.3.5 UNII

2.3.6 UN Number

2.3.7 ChEBI ID

2.3.8 ChEMBL ID

2.3.9 DrugBank ID

2.3.10 DSSTox Substance ID

2.3.11 FEMA Number

2.3.12 HMDB ID

2.3.13 ICSC Number

2.3.14 JECFA Number

84

2.3.15 KEGG ID

2.3.16 Lipid Maps ID (LM_ID)

2.3.17 Metabolomics Workbench ID

2.3.18 NCI Thesaurus Code

2.3.19 Nikkaji Number

2.3.20 RTECS Number

2.3.21 RXCUI

2.3.22 Wikidata

2.3.23 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • chromium propionate
  • ethylformic acid
  • lithium propanoate
  • Monoprop
  • potassium propionate
  • propionic acid
  • propionic acid, zinc salt
  • zinc propionate

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
74.08 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
0.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
74.036779430 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
74.036779430 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
37.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
5
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
40.2
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

Propionic acid is a colorless liquid with a sharp rancid odor. Produces irritating vapor. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
Propionic acid, [solution] appears as a clear oily aqueous liquid with a pungent rancid odor. Burns skin and the vapors irritate mucous membranes. Corrosive to most metals and tissue.
Liquid; Other Solid
Colourless or slightly yellowish, oily liquid with a slightly pungent odour
Colorless, oily liquid with a pungent, disagreeable, rancid odor. [Note: A solid below 5 degrees F.]; [NIOSH]
Liquid
OILY COLOURLESS LIQUID WITH PUNGENT ODOUR.
oily liquid/slightly pungent, rancid odour
Colorless, oily liquid with a pungent, disagreeable, rancid odor.
Colorless, oily liquid with a pungent, disagreeable, rancid odor. [Note: A solid below 5 °F.]

3.2.2 Color / Form

Colorless, oily liquid [Note: A solid below 5 degrees F]
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Clear, colorless liquid
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA22: 224 (1993)

3.2.3 Odor

Slightly pungent disagreeable, rancid odor
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. 1401

3.2.4 Taste

SOUR & MILDLY CHEESE-LIKE
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 228

3.2.5 Boiling Point

285.3 °F at 760 mmHg (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.
141.1°C
PhysProp
141.1 °C
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. 1401
141 °C
286 °F

3.2.6 Melting Point

-6.7 °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.
-20.7°C
PhysProp
-21.5 °C
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. 1401
-20.7 °C
-21 °C
-6.7 °F
5 °F

3.2.7 Flash Point

130 °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.
52 °C
126 °F (52 °C) (Closed cup)
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-100
54 °C c.c., 57 °C o.c.
126 °F

3.2.8 Solubility

greater than or equal to 100 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.
1000000mg/L (at 25 °C)
US EPA (1981)
For more Solubility (Complete) data for PROPIONIC ACID (6 total), please visit the HSDB record page.
Sol in alcohol, ether, chloroform.
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. 1401
Miscible with ethanol; soluble in diethyl ether; slightly soluble in chloroform
Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-440
In water, 1.0X10+6 mg/L at 25 °C /miscible/
US EPA; Treatability manual I. Treatability data; EPA-600/2-82-001a. Washington, DC: US EPA (1981)
1000.0 mg/mL
Solubility in water: very soluble
miscible with water, alcohol, organic solvents
Miscible

3.2.9 Density

0.995 at 68 °F (USCG, 1999) - Less dense than water; will float
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
Specific gravity: 0.993 g/cu cm at 20 °C
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA22: 224 (1993)
DENSITY OF SATURATED AIR: 1.02 (AIR= 1)
Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1780
Critical density: 0.315 g/ml
Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1243
Relative density (water = 1): 0.99
0.993-0.997 (20°/20°)
0.99

3.2.10 Vapor Density

2.56 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
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.
2.56 (Air = 1)
Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3069
Relative vapor density (air = 1): 2.6
2.56

3.2.11 Vapor Pressure

2.9 mmHg at 68 °F ; 10 mmHg at 103.5 °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.
3.53 [mmHg]
Vapor pressure: 3.3 mm Hg at 27.6 °C
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V5: 691
Vapor pressure: 20 mmHg at 125 °F
Meister, R.T., Sine, C. (eds) Crop Protection Handbook Volume 92, Willoughby, OH, 2006., p. D-349
3.53 mm Hg at 25 °C
Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Vapor pressure, kPa at 20 °C: 0.39
3 mmHg

3.2.12 LogP

0.33
HANSCH,C ET AL. (1995)
log Kow = 0.33
Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 6
0.33
HANSCH,C ET AL. (1995)

3.2.13 Henry's Law Constant

Henry's Law constant = 4.45X10-7 atm-cu m/mole at 25 °C
Butler JAV, Ramchandani CN; J Chem Soc 1935: 952-5 (1935)

3.2.14 Autoignition Temperature

870 °F (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
870 °F (465 °C)
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-100
485 °C

3.2.15 Decomposition

When heated to decomposition it emits acrid smoke and irritating fumes.
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3069

3.2.16 Viscosity

cP: 1.175 at 15 °C; 1.020 at 25 °C; 0.956 at 30 °C; 0.668 at 60 °C; 0.495 at 90 °C
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. 1401

3.2.17 Corrosivity

CORROSIVE
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 137

3.2.18 Heat of Combustion

-1528.3 kJ/mol
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA22: 224 (1993)

3.2.19 Heat of Vaporization

418.7 kJ/kg
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA22: 225 (1993)

3.2.20 Surface Tension

27.21 dynes/cm at 15 °C
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. 1401

3.2.21 Ionization Potential

10.24 eV

3.2.22 Odor Threshold

Odor Threshold Low: 0.02 [mmHg]

Odor Threshold High: 0.17 [mmHg]

Detection odor threshold from AIHA (mean = 0.066 ppm)

Odor threshold: 0.16 ul/l; Odor safety class B; B= 50-90% of distracted persons perceive warning of TLV.
Amoore JE, Hautala E; J Appl Toxicol 3 (6): 272-90 (1983)
0.0840 mg/cu m (odor low); 60.00 mg/cu m (odor high).
Ruth JH; Am Ind Hyg Assoc J 47: A-142-51 (1986)

3.2.23 Refractive Index

Index of refraction: 1.3869 @ 20 °C
Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-279
1.384-1.389

3.2.24 Dissociation Constants

Acidic pKa
4.874
Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds. Pharm Res. 2014; 31(4):1082-95. DOI:10.1007/s11095-013-1232-z. PMID:24249037
pKa
4.88
SERJEANT,EP & DEMPSEY,B (1979)
pKa= 4.88
Serjeant, E.P., Dempsey B.; Ionisation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry (IUPAC). IUPAC Chemical Data Series No. 23, 1979. New York, New York: Pergamon Press, Inc.

3.2.25 Kovats Retention Index

Standard non-polar
702, 741, 684, 711, 743, 743, 683, 695, 710, 732, 715, 716, 716, 712
Semi-standard non-polar
700, 745, 721, 748, 725, 739, 717, 721, 668, 690, 729, 740, 690.4, 693, 693, 681, 688.1, 681, 668, 679, 680, 702, 700, 710, 718, 680
Standard polar
1554, 1534, 1549, 1526, 1523, 1536, 1547, 1508, 1487, 1548, 1540, 1556, 1565, 1498, 1498, 1528, 1527, 1550, 1564, 1528, 1548, 1525, 1534, 1530, 1498, 1520, 1555, 1510, 1524, 1544, 1547, 1533, 1535, 1574, 1533, 1554, 1533, 1535, 1528, 1536, 1535, 1531, 1535, 1551, 1486, 1492, 1510, 1544, 1535, 1536, 1534, 1543, 1543, 1560, 1564, 1552, 1547, 1534, 1534, 1541, 1523, 1526, 1557, 1518, 1493, 1556, 1540, 1564, 1554, 1539, 1523, 1525, 1531, 1555, 1570, 1525, 1525, 1561, 1538, 1538, 1542, 1565, 1543, 1552, 1540, 1556, 1558, 1573, 1563.4, 1523, 1533.7, 1539.4, 1537, 1540, 1528, 1528, 1531, 1525, 1525, 1525, 1553, 1521, 1520, 1536.4, 1538.8, 1539.6, 1545, 1547.6, 1520, 1521, 1535, 1550, 1544, 1533.8, 1540, 1532, 1547, 1517, 1541, 1524.6, 1491, 1490, 1492, 1510, 1491, 1523, 1528, 1547, 1525, 1522.2

3.2.26 Other Experimental Properties

RATIO OF SPECIFIC HEATS OF VAPOR (GAS): 1.103; LATENT HEAT OF VAPORIZATION: 248 BTU/LB= 138 CAL/G= 5.78X10+5 J/KG
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
Azeotrope with water, bp 98.98 °C, contains 17.7% acid; with toluene, bp 110.45 °C, contains 3% acid; with ortho-xylene, bp 135.4 °C, contains 43% acid; with ethylbenzene, 131.1 °C, contains 28% acid.
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. 1401
Can be salted out of water soln by the addition of calcium chloride or other salts.
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. 1401
Specific heat = 2.34 J/g
Kirk-Othmer Encyclopedia of Chemical Technology. 4th ed. Volumes 1: New York, NY. John Wiley and Sons, 1991-Present., p. V5: 149 (1993)
For more Other Experimental Properties (Complete) data for PROPIONIC ACID (6 total), please visit the HSDB record page.

3.3 SpringerMaterials Properties

3.4 Chemical Classes

Other Classes -> Organic Acids

3.4.1 Drugs

Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
3.4.1.1 Animal Drugs
Pharmaceuticals -> UK Veterinary Medicines Directorate List
S104 | UKVETMED | UK Veterinary Medicines Directorate's List | DOI:10.5281/zenodo.7802119

3.4.2 Cosmetics

Preservative
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

3.4.3 Food Additives

ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT, PH CONTROL AGENT -> FDA Substance added to food

3.4.4 Fragrances

Fragrance Ingredient (Propionic acid) -> IFRA transparency List

3.4.5 Lipids

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]

3.4.6 Pesticides

Bactericides, Fungicides
Active substance -> EU Pesticides database: Not approved
Biocide
S120 | DUSTCT2024 | Substances from Second NORMAN Collaborative Dust Trial | DOI:10.5281/zenodo.13835254

4 Spectral Information

4.1 1D NMR Spectra

1 of 2
1D NMR Spectra
NMR: 5996 (Sadtler Research Laboratories Spectral Collection)
2 of 2
1D NMR Spectra

4.1.1 1H NMR Spectra

1 of 5
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Spectra ID
Instrument Type
Varian
Frequency
500 MHz
Solvent
Water
pH
7.00
Shifts [ppm]:Intensity
2.19:15.99, 2.16:52.05, 1.04:100.00, 2.18:50.31, 1.03:47.70, 2.15:17.55, 1.06:50.32
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Spectra ID
Instrument Type
JEOL
Frequency
90 MHz
Solvent
CDCl3
Shifts [ppm]:Intensity
11.73:142.00, 1.15:763.00, 2.35:505.00, 2.27:150.00, 2.36:223.00, 1.24:481.00, 1.16:1000.00, 1.07:362.00, 2.52:94.00, 2.26:163.00, 2.52:117.00, 2.43:421.00
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4.1.2 13C NMR Spectra

1 of 6
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Spectra ID
Instrument Type
Bruker
Frequency
125 MHz
Solvent
Water
pH
7.00
Shifts [ppm]:Intensity
-0.00:2.47, 12.85:19.00, 187.51:3.11, 33.35:17.52
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Spectra ID
Frequency
400 MHz
Solvent
H2O
Shifts [ppm]
187.51, 33.35, 12.85
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4.1.3 17O NMR Spectra

1 of 2
Copyright
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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2 of 2
Copyright
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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4.2 2D NMR Spectra

4.2.1 1H-1H NMR Spectra

2D NMR Spectra Type
1H-1H TOCSY
Spectra ID
Shifts [ppm] (F2:F1)
1.05:2.17, 1.05:2.20, 2.18:2.17, 1.05:1.03, 1.05:2.18, 2.18:1.03, 1.05:1.05, 2.19:1.07, 1.05:1.07, 2.18:2.18, 2.18:1.05, 1.05:2.15
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4.2.2 1H-13C NMR Spectra

2D NMR Spectra Type
1H-13C HSQC
Spectra ID
Instrument Type
Bruker
Frequency
600 MHz
Solvent
Water
pH
7.00
Shifts [ppm] (F2:F1):Intensity
2.17:33.48:1.00, 1.04:12.99:0.74
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4.3 Mass Spectrometry

4.3.1 GC-MS

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Spectra ID
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

28.0 99.99

29.0 83.51

74.0 69.93

27.0 59.78

45.0 49.64

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Notes
instrument=HITACHI RMU-6M
2 of 11
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Spectra ID
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

28.0 99.99

29.0 79.10

27.0 70.66

74.0 53.54

45.0 52.06

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Notes
instrument=HITACHI M-80B

4.3.2 MS-MS

1 of 6
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Spectra ID
Instrument Type
EI-B (HITACHI RMU-6M)
Ionization Mode
Positive
Top 5 Peaks

28.0 1

29.0 0.84

74.0 0.70

27.0 0.60

45.0 0.50

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Spectra ID
Instrument Type
EI-B (HITACHI M-80B)
Ionization Mode
Positive
Top 5 Peaks

28.0 1

29.0 0.79

27.0 0.71

74.0 0.54

45.0 0.52

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4.3.3 LC-MS

1 of 7
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Authors
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
Instrument
API3000, Applied Biosystems
Instrument Type
LC-ESI-QQ
MS Level
MS2
Ionization Mode
NEGATIVE
Collision Energy
10 V
Precursor m/z
73
Precursor Adduct
[M-H]-
Top 5 Peaks

73 999

72.4 10

71.4 1

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License
CC BY-NC-SA
2 of 7
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Authors
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
Instrument
API3000, Applied Biosystems
Instrument Type
LC-ESI-QQ
MS Level
MS2
Ionization Mode
NEGATIVE
Collision Energy
20 V
Precursor m/z
73
Precursor Adduct
[M-H]-
Top 5 Peaks
73.1 999
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License
CC BY-NC-SA

4.3.4 Other MS

1 of 4
View All
Other MS
MASS: 19190 (NIST/EPA/MSDC Mass Spectral Database, 1990 Version)
2 of 4
View All
Authors
YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
Instrument
HITACHI RMU-6M
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 70 eV
Top 5 Peaks

28 999

29 835

74 699

27 598

45 496

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License
CC BY-NC-SA

4.4 UV Spectra

UV: 1-13 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5: 4391

4.5 IR Spectra

IR Spectra
IR: 104 (Sadtler Research Laboratories IR Grating Collection)

4.5.1 FTIR Spectra

1 of 2
Technique
CAPILLARY CELL: NEAT
Source of Sample
Dupont Company, Wilmington, Delaware
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker Tensor 27 FT-IR
Technique
Neat
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0500
Lot Number
8WVRG-GR
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.5.2 ATR-IR Spectra

1 of 2
Technique
ATR-Neat
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker Tensor 27 FT-IR
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0500
Lot Number
8WVRG-GR
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.5.3 Near IR Spectra

1 of 2
Instrument Name
BRUKER IFS 88
Technique
NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=8883,REO=2,CNM=HEI,ZFF=2
Source of Spectrum
Prof. Buback, University of Goettingen, Germany
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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2 of 2
Instrument Name
BRUKER IFS 88
Technique
NIR Spectrometer= INSTRUMENT PARAMETERS=INST=BRUKER,RSN=8883,REO=2,CNM=HEI,ZFF=2
Source of Spectrum
Prof. Buback, University of Goettingen, Germany
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.5.4 Vapor Phase IR Spectra

1 of 2
Instrument Name
DIGILAB FTS-14
Technique
Vapor Phase
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
Bruker IFS 85
Technique
Gas-GC
Copyright
Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.6 Raman Spectra

1 of 2
Instrument Name
Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Technique
FT-Raman
Source of Spectrum
Bio-Rad Laboratories, Inc.
Source of Sample
TCI Chemicals India Pvt. Ltd.
Catalog Number
P0500
Lot Number
8WVRG-GR
Copyright
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Catalog Number
109797
Copyright
Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.7 Other Spectra

SADTLER REFERENCE NUMBER: 307 (IR, PRISM)
Weast, R.C. (ed.) Handbook of Chemistry and Physics. 69th ed. Boca Raton, FL: CRC Press Inc., 1988-1989., p. C-450

6 Chemical Vendors

7 Drug and Medication Information

7.1 Drug Indication

Propanoic acid and various direct sodium or calcium salt formulations of the acid are currently most commonly approved and indicated by organizations like the FDA and EMA for use as an antibacterial food additive preservative in animal feed and food for human consumption. Similarly, although the use of propanoic acid or any of its direct sodium or calcium salt formulations as excipient ingredients in pharmaceuticals is not necessarily a major role for the compound today, sodium propionate was used in some vaginal cream preparations indicated for cervicitis, cervical tears, and/or postcauterization, postcryosurgery, and postconization of the cervix. In such products, the sodium propionate was primarily used to elicit a preservative, bacteriostatic effect while other active ingredients combined in the formulation like urea, benzalkonium chloride, inositol, and methionine and cystine amino acids facilitated debridement, enhanced medication spread, epithelialization promotion, and wound healing, respectively. Nevertheless, a great variety of propionic acid derivatives exist as separate pharmaceuticals, each with their own unique therapeutic categories, pharmacodynamics, and pharmacokinetics.

7.2 Clinical Trials

7.2.1 ClinicalTrials.gov

7.3 Therapeutic Uses

VET: Useful orally in ruminants as an antiketogenic agent ... it also stimulates rumen development in calves. /Propionic acid and salts/
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 493
VET: ... As topical antifungal agents in various dermatoses.
Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 492
... Treating dermatophytic infections ... /Sodium Propionate/
American Medical Association, AMA Department of Drugs, AMA Drug Evaluations. 3rd ed. Littleton, Massachusetts: PSG Publishing Co., Inc., 1977., p. 822
/VET:/ Propionic acid ... has been used to treat dermatomycoses. Propionic acid is also incorporated in manufactured animal feeds to help control fungal growth. At concentrations above 3 ug/ml it is fungicidal against a toxigenic strain of Aspergillus parasiticus.
Booth, N.H., L.E. McDonald (eds.). Veterinary Pharmacology and Therapeutics. 5th ed. Ames, Iowa: Iowa State University Press, 1982., p. 772
For more Therapeutic Uses (Complete) data for PROPIONIC ACID (8 total), please visit the HSDB record page.

7.4 Drug Warnings

Both their low efficacy and exaggerated price make /propionic acid and sodium propionate/ irrational choices for treatment /of dermatomycoses/...
Hardman, J.G., L.E. Limbird, P.B., A.G. Gilman. Goodman and Gilman's The Pharmacological Basis of Therapeutics. 10th ed. New York, NY: McGraw-Hill, 2001., p. 1310

7.5 Biomarker Information

8 Food Additives and Ingredients

8.1 Food Additive Classes

Flavoring Agents
JECFA Functional Classes

Flavouring Agent ->

FLAVOURING_AGENTFood Additives -> PRESERVATIVE;

8.2 FEMA Flavor Profile

Fat, Fruit, Pungent, Silage, Soy

8.3 FDA Substances Added to Food

Used for (Technical Effect)
ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT, PH CONTROL AGENT
Document Number (21 eCFR)
FEMA Number
2924
GRAS Number
3, 25
JECFA Flavor Number
84

8.4 Associated Foods

8.5 Evaluations of the Joint FAO / WHO Expert Committee on Food Additives - JECFA

Chemical Name
METHYLACETIC ACID
Evaluation Year
1997
ADI
NOT LIMITED (1973)
Comments
No safety concern at current levels of intake when used as a flavouring agent. The 1973 group ADI of "not limited" for propionic acid and its calcium, potassium and sodium salts was maintained at the forty-ninth meeting (1997).
Tox Monograph

9 Agrochemical Information

9.1 Agrochemical Category

Fungicide
Pesticide active substances -> Bactericides, Fungicides

9.2 EU Pesticides Data

Active Substance
propionic acid
Status
Not approved [Reg. (EC) No 1107/2009]
Legislation
2004/129/EC

10 Pharmacology and Biochemistry

10.1 Pharmacodynamics

As a naturally occurring carboxylic acid, propionic acid typically undergoes metabolism via conversion to propionyl coenzyme A (propionyl-CoA), which is part of the usual metabolic pathway that carboxylic acids participate within in the human body. Most of propionic acid's antibacterial and preservative activities subsequently stem from this metabolic pathway as the metabolic fate of propionates varies in different microorganisms, resulting in antimicrobial mechanisms of action that may revolve around differing propionate metabolites causing competition, inhibition, and/or interference effects along other metabolic pathways in the various microorganisms affected. In the human body, however, propionic acid is generally metabolized with little ill effect and ultimately becomes a chemical intermediate in the citric acid cycle.

10.2 Absorption, Distribution and Excretion

Absorption
Some propionic acid is oxidized to lactic acid during absorption, but most passes to the liver, which removes nearly all of it from the portal blood. Propionic acid represents 20-25% of absorbed volatile fatty acids. Propionic acid is rapidly absorbed through the gastrointestinal tract.
Route of Elimination
Most absorbed propionic acid is passed to the liver, which removes nearly all of it from the portal blood. Three days after a single oral administration of labeled sodium propionate, 77% of the radioactivity was found in expired air, and 7% in urine and feces.
Volume of Distribution
Three days after a single oral administration of labeled sodium propionate, 77% of the radioactivity was found in expired air, and 7% in urine and feces. The radioactivity found in skin, liver, intestine, and adipose tissue was 3.9, 1.1, 0.9, and 0.7%, respectively. Readily accessible data regarding the volume of distribution of propionic acid is not available.
Clearance
Readily accessible data regarding the clearance of propionic acid is not available.
Some propionic acid is oxidized to lactic acid during absorption but most passes to the liver, which removes nearly all of it from the portal blood ... propionic acid ... represents 20-25% of absorbed volatile fatty acids.
Jones, L.M., et al. Veterinary Pharmacology & Therapeutics. 4th ed. Ames: Iowa State University Press, 1977., p. 736
Three days after a single oral admin of labeled sodium propionate, 77% of the radioactivity was found in expired air, and 7% in urine and feces. The radioactivity found in skin, liver, intestine, and adipose tissue was 3.9, 1.1, 0.9, and 0.7%, respectively.
KOZUKA H ET AL; EISEI KAGAKU 27 (5): 303-8 (1981)
Propionic acid is rapidly absorbed through the gastrointestinal tract and, even after large doses, very little is excreted in the urine.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:706
... In the forestomachs of rats fed 4% PA in powdered diet, the amount of PA in hyperplasias (1553 | 508 mug PA/g tissue) was three times higher than that in the remainder of the tissue (479 | 247 mug PA/g tissue). The PA content decreased progressively towards the glandular parts.
Bueld JE, Netter KJ; Food Chem Toxicol 31 (3): 169-176 (1993)

10.3 Metabolism / Metabolites

Propionic acid is first converted to propionyl coenzyme A (propionyl-CoA), however, it directly enter either beta oxidation or the citric acid cycles. As propionic acid has three carbons, propionyl-CoA. In the majority of vertebrates, propionyl-CoA is carboxylated to D-methylmalonyl-CoA, which is then isomerised to L-methylmalonyl-CoA. A vitamin B12-dependent enzyme catalyzes rearrangement of L-methylmalonyl-CoA to succinyl-CoA, which can then be used as a substrate in the citric acid cycle.
Propionate is formed as the terminal three-carbon fragment (as propionyl-coenzyme A) in the oxidation of odd-number carbon fatty acids and from oxidation of the side chain of cholesterol. Radioactivity from propionate admin to fasting rats may appear in glycogen, glucose, citric acid cycle intermediates, amino acids, and proteins. The route of metabolism of propionic acid involves interaction with coenzyme A, carboxylation to form methylmalonyl-coenzyme A, and conversion to succinic acid, which enters the citric acid cycle. Propionic acid may be oxidized without forming ketone bodies and in contrast to acetic acid, is incorporated into a carbohydrate as well as lipid.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:706
The metab of radiolabeled sodium propionate was studied in rats three days after a single oral admin. Among the liver extracts, 89% of the liver radioactivity was found in trichloroacetic acid precipitated fraction, and 10% in glycogen.
KOZUKA H ET AL; EISEI KAGAKU 27 (5): 303-8 (1981)
Treatment with L-carnitine greatly enhanced the formation and excretion of short-chain acylcarnitines in three patients with propionic acidemia and in three normal controls. Mass spectrometry ... identified the acylcarnitine as propionylcarnitine in patients with propionic acidemia. The normal children excreted mostly acetylcarnitine. Propionic acidemia and other organic acidurias are characterized by the intramitochondrial accumulation of short-chain acyl-Coenzyme A (CoA) compounds. The substrate specificity of the carnitine acetyltransferase enzyme and its steady state nature appears to facilitate elimination of propionyl groups while restoring the acyl-acyl-Coenzyme A:free acyl-CoenzymeA ratio in the mitochondrion. L-carnitine may be a useful therapeutic approach for elimination of toxic acyl acyl-Coenzyme A compounds in several of these disorders.
Roe CR et al; J Clin Invest 73 (6): 1785-8 (1984)
Propionic acid (10 mM) inhibited hepatocyte oxidation of 1-(14)C-pyruvate (10 mM) by 60%. This inhibition was not the result of substrate competition, as butyric acid had minimal effects on pyruvate oxidation. ... Propionic acid also inhibited oxidation of 1-(14)C palmitic acid (0.8 mM) by hepatocytes isolated from fed rats. ... These results demonstrate that propionic acid interferes with oxidative metabolism in intact hepatocytes.
Brass EP et al; Biochem J 236 (1): 131-6 (1986)
For more Metabolism/Metabolites (Complete) data for PROPIONIC ACID (7 total), please visit the HSDB record page.
The metabolism of propanoic acid begins with its conversion to propionyl coenzyme A (propionyl-CoA), the usual first step in the metabolism of carboxylic acids. Since propanoic acid has three carbons, propionyl-CoA cannot directly enter either beta oxidation or the citric acid cycles. In most vertebrates, propionyl-CoA is carboxylated to D-methylmalonyl-CoA, which is isomerised to L-methylmalonyl-CoA. A vitamin B12-dependent enzyme catalyzes rearrangement of L-methylmalonyl-CoA to succinyl-CoA, which is an intermediate of the citric acid cycle and can be readily incorporated there. (Wikipedia)

10.4 Biological Half-Life

The half-life of iv sodium propionate administered in the sheep animal model is about 6.9 +/- 0.4 minutes.
The t1/2 of the iv sodium propionate load ... from 6.9 +/- 0.4 min in the control sheep ... . /Sodium propionate/
Grohn Y et al; Am J Vet Res 46 (4): 952-8 (1985)

10.5 Mechanism of Action

The metabolic fate of propionates varies in different microorganisms. Some have enzyme systems that can convert succinate to propionyl-coenzyme A and through various further steps to propionate, CO2, or propionyl phoshpate. Still others can convert propionic acid to B-alanine or directly to CO2. Whatever the case, the inhibiting effect for microbials is likely related to competition with acetate in the acetokinase system, to the blockage of pyruvate conversion to acetyl-coenzyme A and to interference with B-alanine in pantothenic acid syntheses. Moreover, other studies suggest the antimicrobial activity of propionic acid revolves around its ability to reduce the pH of its immediate environment to levels of acidity that are harmful to pathogenic microbes as well as its ability to dissociate such that its lipid soluble undissociated form is capable of entering microbial cells. Additionally, there are also studies that suggest that propionic acid's antifungal activity may be the result of propionyl-CoA inhibiting glucose metabolism in certain species of fungus via the accumulation of the CoA-derivative.

10.6 Human Metabolite Information

10.6.1 Tissue Locations

  • Adipose Tissue
  • Brain
  • Epidermis
  • Fibroblasts
  • Intestine
  • Neuron
  • Platelet
  • Skeletal Muscle
  • Testis

10.6.2 Cellular Locations

  • Cytoplasm
  • Extracellular
  • Mitochondria

10.6.3 Metabolite Pathways

10.7 Biochemical Reactions

10.8 Transformations

11 Use and Manufacturing

11.1 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 fungicide, herbicide and emulsifying agent; it occurs naturally in cheese and is an approved food preservative. [ACGIH]
ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.
Industrial Processes with risk of exposure
Farming (Pesticides) [Category: Industry]
Activities with risk of exposure
Smoking cigarettes [Category: Food & Drugs]
For Propionic acid (USEPA/OPP Pesticide Code: 77702) 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 Propionic acid (79-09-4). Available from, as of December 18, 2006: https://npirspublic.ceris.purdue.edu/ppis/
MEDICATION (VET)
MEDICATION
Chemical intermediate for calcium, sodium propionates, cellulose propionate plastics, plasticizers, pharmaceuticals; chemical intermediate for the herbicides dalapon, erbon, and propanil; grain preservative.
SRI
For more Uses (Complete) data for PROPIONIC ACID (18 total), please visit the HSDB record page.
This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

11.1.1 Use Classification

Food additives
Food additives -> Flavoring Agents
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> -> JECFA Functional Classes

FLAVOURING_AGENTFood Additives -> PRESERVATIVE; -> JECFA Functional Classes

Hazard Classes and Categories -> Corrosives, Flammable - 2nd degree
Cosmetics -> Preservative
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118

11.1.2 Industry Uses

  • Agricultural chemicals (non-pesticidal)
  • Processing aids, not otherwise listed
  • Preservative
  • Intermediate
  • Not Known or Reasonably Ascertainable
  • Other (specify)
  • Adhesion/cohesion promoter

11.1.3 Consumer Uses

  • Other (specify)
  • Not Known or Reasonably Ascertainable
  • Preservative
  • Agricultural chemicals (non-pesticidal)

11.1.4 Household Products

Household & Commercial/Institutional Products

Information on 4 consumer products that contain Propionic acid in the following categories is provided:

• Home Maintenance

• Inside the Home

11.2 Methods of Manufacturing

Can be obtained from wood pulp waste by fermentation process using bacteria of the genus Propionibacterium: Wayman et al., US patent 3,067,107 (1962 to Columbia Cellulose). ... From ethanol and carbon monoxide using a boron trifluoride catalyst: Loder, US patent 2,135,448; US patent 2,135,451; US patent 2,135,453 (all 1939 to du Pont) ... by oxidation of propionaldehyde: Hasche, US patent 2,294,984 (1942 to Kodak).
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. 1401
... By the reaction of carbon monoxide with hydrogen and olefins or alcohols.
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 928
Liquid phase oxidation of butane.
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V12: 848
Heating succinic acid and its salts.
Kirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V21: 854
For more Methods of Manufacturing (Complete) data for PROPIONIC ACID (8 total), please visit the HSDB record page.

11.3 Formulations / Preparations

Grades: Technical, 99.0%; Food Chemicals Codex
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 928
Trade Names: Luprosil; Proxoin; Tenox P.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:704

11.4 Consumption Patterns

40% AS A CHEM INT FOR CALCIUM & SODIUM PROPIONATE; 23% AS A CHEM INT FOR CELLULOSE PROPIONATE PLASTICS; 21% AS A CHEM INT FOR THE HERBICIDES DALAPON, ERBON, & PROPANIL; 11% AS A CHEM INT FOR PLASTICIZERS, PHARMACEUTICALS, & IN OTHER APPLICATIONS; 5% AS A GRAIN PRESERVATIVE (1973)
SRI
Calcium & Sodium propionates, 33%; cellulose acetate propionate, 26%; herbicides, 16%; other, 25% (1983)
CHEMICAL PRODUCTS SYNOPSIS: Propionic acid, 1983
CHEMICAL PROFILE: Propionic Acid. Feed and grain preservatives, 25%; cellulose plastics, 20%; herbicides, 18%; calcium and sodium propionates, 18%; exports, 15%; other, 4%.
Kavaler AR; Chemical Marketing Reporter 234 (5): 46 (1988)
CHEMICAL PROFILE: Propionic acid. Demand: 1987: 127 million lb; 1988: 130 million lb; 1992 /projected/: 145 million lb. (Includes exports, but not imports, which totaled 3.9 million lb in 1987.)
Kavaler AR; Chemical Marketing Reporter 234 (5): 46 (1988)
For more Consumption Patterns (Complete) data for PROPIONIC ACID (6 total), please visit the HSDB record page.

11.5 U.S. Production

Aggregated Product Volume

2019: 100,000,000 lb - <1,000,000,000 lb

2018: 100,000,000 lb - <1,000,000,000 lb

2017: 100,000,000 lb - <1,000,000,000 lb

2016: 100,000,000 lb - <1,000,000,000 lb

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 17, 2006: https://www.epa.gov/hpv/pubs/general/opptsrch.htm
(1972) 2.54X10+10 GRAMS
SRI
(1975) 2.3X10+10 GRAMS
SRI
(1984) 4.35X10+10 GRAMS
USITC. SYN ORG CHEM-U.S. PROD/SALES 1984 p.254
For more U.S. Production (Complete) data for PROPIONIC ACID (11 total), please visit the HSDB record page.

11.6 U.S. Imports

(1973) 2.59X10+9 GRAMS
SRI
(1975) 2.4X10+9 GRAMS
SRI
(1984) 4.88x10+9 GRAMS
BUREAU OF THE CENSUS. U.S. IMPORTS FOR CONSUMPTION AND GENERAL IMPORTS 1984 p.1-357
Imports averaged 27 million pounds per year during /1991-1995/.
Chemical Marketing Reporter; Chemical Profile. Propionic Acid. Feburary 24, 1997 p. 49 (1997)

11.7 U.S. Exports

(1984) 4.40X10+9 GRAMS
BUREAU OF THE CENSUS. U.S. EXPORTS, SCHEDULE E, 1984 p.2-78
... Averaging 34 million lbs during the 1991-1995 period.
Chemical Marketing Reporter; Chemical Profile. Propionic Acid. Feburary 24, 1997 p. 49 (1997)

11.8 General Manufacturing Information

Industry Processing Sectors
  • Food, beverage, and tobacco product manufacturing
  • All Other Basic Inorganic Chemical Manufacturing
  • Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
  • All Other Basic Organic Chemical Manufacturing
  • Rubber Product Manufacturing
  • Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)
EPA TSCA Commercial Activity Status
Propanoic acid: ACTIVE
Method of purification: rectification
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 928
Apply at harvest in manner to provide thorough mixing and coverage of grain.
Farm Chemicals Handbook 1981. Willoughby, Ohio: Meister, 1981., p. C-279
At concn above 3 ug/ml it is fungicidal against a toxigenic strain of Aspergillus parasiticus.
Booth, N.H., L.E. McDonald (eds.). Veterinary Pharmacology and Therapeutics. 5th ed. Ames, Iowa: Iowa State University Press, 1982., p. 772

12 Identification

12.1 Analytic Laboratory Methods

An ion chromatographic system was developed for routine measurement of carboxylic acids with carbon numbers up to C8 in precipitation samples. The system combines online sample preconcentration on a low capacity anion exchange resin with separation by ion exclusion and subsequent detection by UV absorption. Using mixtures of carboxylic acids likely to occur in the atmosphere, propionic acid was found to have a retention time of 26.0 min.
Elbert W et al; Int J Environ Anal Chem 35 (3): 149-59 (1989)
DOE Method OM500R. Qualitative Analysis for Low-Molecular-Weight Organic Acids in Mixed Hazardous Waste Samples by Thermospray LC-MS.
USEPA; EMMI. EPA's Environmental Monitoring Methods Index. Version 1.1. PC# 4082. Rockville, MD: Government Institutes (1997)
EPA Method PMD-PPD. Determination of Propionic Acid by Gas Chromatography.
USEPA; EMMI. EPA's Environmental Monitoring Methods Index. Version 1.1. PC# 4082. Rockville, MD: Government Institutes (1997)
Method: AOAC 938.07; Procedure: column chromatographic method; Analyte: propionic acid; Matrix: eggs; Detection Limit: not provided.
Horwitz W, ed.; Official Methods of Analysis of AOAC International 17th ed. (2003). CD-ROM, AOAC International, Gaithersburg, MD
For more Analytic Laboratory Methods (Complete) data for PROPIONIC ACID (8 total), please visit the HSDB record page.

13 Safety and Hazards

13.1 Hazards Identification

13.1.1 GHS Classification

1 of 7
View All
Pictogram(s)
Flammable
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements

H226 (19.7%): Flammable liquid and vapor [Warning Flammable liquids]

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H318 (17.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H335 (16.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, 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 2660 reports by companies from 50 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.

13.1.2 Hazard Classes and Categories

Flam. Liq. 3 (19.7%)

Skin Corr. 1B (100%)

Eye Dam. 1 (17.7%)

STOT SE 3 (16.3%)

Not Classified

13.1.3 NFPA Hazard Classification

1 of 2
View All
NFPA 704 Diamond
3-2-0
NFPA Health Rating
3 - Materials that, under emergency conditions, can cause serious or permanent injury.
NFPA Fire Rating
2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.
NFPA Instability Rating
0 - Materials that in themselves are normally stable, even under fire conditions.

13.1.4 Health Hazards

Liquid causes skin and eye burns. Vapors may irritate eeyes, nose, and throat, but should not cause systemic illness. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

· Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears).

· Contact with molten substance may cause severe burns to skin and eyes.

· Avoid any skin contact.

· Fire may produce irritating, corrosive and/or toxic gases.

· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination.

13.1.5 Fire Hazards

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)

ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

· Combustible material: may burn but does not ignite readily.

· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.

· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.

· Corrosives in contact with metals may evolve flammable hydrogen gas.

· Containers may explode when heated.

· Runoff may pollute waterways.

· Substance may be transported in a molten form.

Flammable. Above 54 °C explosive vapour/air mixtures may be formed. Risk of fire and explosion on contact with strong bases, strong oxidants or metals. See Chemical Dangers.

13.1.6 Hazards Summary

Liquid causes second degree burns after contact for a few minutes. [CHRIS] Corrosive to skin; [Quick CPC] [Acute irritant contact dermatitis from propionic acid used in animal feed preservation. Contact Dermatitis. Henschel R, et al. 1999 Jun;40(6):328. No abstract available.] A skin, eye, and respiratory tract irritant; [ICSC]
Quick CPC - Forsberg K, Mansdorf SZ. Quick Selection Guide to Chemical Protective Clothing, 5th Ed. Hoboken, NJ: Wiley-Interscience, 2007.

13.1.7 Fire Potential

Flammable liquid. Highly flammable when exposed to heat, flame, or oxidizers.
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3069

13.1.8 Skin, Eye, and Respiratory Irritations

Corrosive. Causes severe eye and skin burns. Irritating to skin, eyes, and respiratory system. May be harmful if inhaled.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127
... Vapors may irritate eyes, nose, and throat ...
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.

13.2 Safety and Hazard Properties

13.2.1 Flammable Limits

Lower flammable limit: 2.9% by volume; Upper flammable limit: 12.1% by volume
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-100
Flammability
Class II Combustible Liquid: Fl.P. at or above 100 °F and below 140 °F.

13.2.2 Lower Explosive Limit (LEL)

2.9 % (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.
2.9%

13.2.3 Upper Explosive Limit (UEL)

14.8 % (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.
14.8%
12.1%

13.2.4 Critical Temperature & Pressure

Critical temperature: 338.9 °C; Critical pressure: 5.37 MPa
Gerhartz, W. (exec ed.). Ullmann's Encyclopedia of Industrial Chemistry. 5th ed.Vol A1: Deerfield Beach, FL: VCH Publishers, 1985 to Present., p. VA22: 224 (1993)

13.2.5 Explosive Limits and Potential

Explosive limits , vol% in air: 2.9-12.1

13.2.6 OSHA Standards

Vacated 1989 OSHA PEL TWA 10 ppm (30 mg/cu m) is still enforced in some states.
NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 370

13.2.7 NIOSH Recommendations

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 10 ppm (30 mg/cu m).
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Recommended Exposure Limit: 15 Min Short-Term Exposure Limit: 15 ppm (45 mg/cu m).
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)

13.3 First Aid Measures

Inhalation First Aid
Fresh air, rest. Half-upright position. Refer immediately for medical attention.
Skin First Aid
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention .
Eye First Aid
Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.
Ingestion First Aid
Rinse mouth. Do NOT induce vomiting. Give nothing to drink. Refer immediately for medical attention.

13.3.1 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. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.

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. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. 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. IMMEDIATELY transport the victim to a hospital. 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. Transport the victim IMMEDIATELY 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.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024)

ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

General First Aid:

· Call 911 or emergency medical service.

· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.

· Move victim to fresh air if it can be done safely.

· Administer oxygen if breathing is difficult.

· If victim is not breathing:

-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingestedor inhaled the substance.

-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).

-- If no pulse detected or no respiratory medical device available, provide continuouscompressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.

· Remove and isolate contaminated clothing and shoes.

· For minor skin contact, avoid spreading material on unaffected skin.

· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.

· For severe burns, immediate medical attention is required.

· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.

· Keep victim calm and warm.

· Keep victim under observation.

· For further assistance, contact your local Poison Control Center.

· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.

Specific First Aid:

· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

· Removal of solidified molten material from skin requires medical assistance.

In Canada, an Emergency Response Assistance Plan (ERAP) may be required for this product. Please consult the shipping paper and/or the "ERAP" section.

(See general first aid procedures)

Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.

Skin: Water flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water. Get medical attention promptly.

Breathing: Respiratory support

Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

13.4 Fire Fighting

Fire Extinguishing Agents: Water, carbon dioxide, dry chemical, or alcohol foam. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

SMALL FIRE: Dry chemical, CO2 or water spray.

LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

13.4.1 Fire Fighting Procedures

Use water spray, dry chemical, "alcohol resistant" foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127

13.4.2 Firefighting Hazards

Corrosive and combustible liquid
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127

13.5 Accidental Release Measures

Public Safety: ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Keep unauthorized personnel away.

· Stay upwind, uphill and/or upstream.

· Ventilate closed spaces before entering, but only if properly trained and equipped.

Spill or Leak: ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

· Stop leak if you can do it without risk.

· Prevent entry into waterways, sewers, basements or confined areas.

· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.

· DO NOT GET WATER INSIDE CONTAINERS.

13.5.1 Isolation and Evacuation

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

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)

Evacuation: ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

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

· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.

· For non-highlighted materials: 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.

13.5.2 Spillage Disposal

Remove all ignition sources. Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

13.5.3 Cleanup Methods

Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Control runoff and isolate discharged material for proper disposal.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127

13.5.4 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.
The following wastewater treatment technologies have been investigated for propionic acid: Concentration process: Activated carbon.
USEPA; Management of Hazardous Waste Leachate, EPA Contract No.68-03-2766 p.E-135 (1982)
The following wastewater treatment technologies have been investigated for propionic acid: Concentration process: Resin adsorption.
USEPA; Management of Hazardous Waste Leachate, EPA Contract No.68-03-2766 p.E-185 (1982)

13.5.5 Preventive Measures

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)

13.6 Handling and Storage

13.6.1 Nonfire Spill Response

Neutralizing Agents for Acids and Caustics: Dilute with water, then neutralize with lime or soda ash. (USCG, 1999)
U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

13.6.2 Safe Storage

Fireproof. Separated from strong oxidants and strong bases. Store only in original container. Store in an area without drain or sewer access.

13.6.3 Storage Conditions

Outside or detached storage is preferred. Store in a cool, dry, well-ventilated location.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127
Ordinary steel is totally unsuitable for the handling of propionic acid. Aluminum is only resistant at room temperature and to anhydrous, concentrated propionic acid; at higher temperature corrosiveness toward aluminum varies with the concentration of acid. Thus the corrosion maximum for 50 °C lies at 75 % acid, whereas there are two maxima at the boiling point, a weaker one at 1 % and a strong one at 99.8 % acid.
Ullmann's Encyclopedia of Industrial Chemistry. 6th ed.Vol 1: Federal Republic of Germany: Wiley-VCH Verlag GmbH & Co. 2003 to Present, p. V. 30 266 (2003)
Copper and copper alloys are stable toward propionic acid up to its boiling point, but only if the solutions are free from air or oxidizing substances. ... Containers made of aluminum with a purity of 99.5 % (DIN no. 3.0255) or alloyed steels (DIN no. 1.4541/UNS no.: S 30 400 and 1.4571/S 31 600) are suitable for storing pure propionic acid. Aluminum is unstable toward aqueous propionic acid. Polyethylene containers can be used for temporary storage of propionic acid and as small packing drums. Plastics are not recommended for long-term storage. Glass-reinforced plastics are unsuitable even for short-term storage.
Ullmann's Encyclopedia of Industrial Chemistry. 6th ed.Vol 1: Federal Republic of Germany: Wiley-VCH Verlag GmbH & Co. 2003 to Present, p. V. 30 266 (2003)

13.7 Exposure Control and Personal Protection

Protective Clothing: ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.

· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Maximum Allowable Concentration (MAK)
10.0 [ppm]

13.7.2 Permissible Exposure Limit (PEL)

13.7.3 Immediately Dangerous to Life or Health (IDLH)

N.D.

See: IDLH INDEX

13.7.4 Threshold Limit Values (TLV)

10.0 [ppm]
8 hr Time Weighted Avg (TWA): 10 ppm.
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 50
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded.
American Conference of Governmental Industrial Hygienists TLVs and BEIs. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. Cincinnati, OH, 2008, p. 5
10 ppm as TWA.
TLV-TWA (Time Weighted Average)
10 ppm [1977]

13.7.5 Occupational Exposure Limits (OEL)

EU-OEL
31 mg/m

13.7.6 Emergency Response Planning Guidelines

Emergency Response: ERG 2024, Guide 153 (Propionic acid, with not less than 10% and less than 90% acid; Propionic acid, with not less than 90% acid; Propionic acid)

Small Fire

· Dry chemical, CO2 or water spray.

Large Fire

· Dry chemical, CO2, alcohol-resistant foam or water spray.

· If it can be done safely, move undamaged containers away from the area around the fire.

· Dike runoff from fire control for later disposal.

Fire Involving Tanks, Rail Tank Cars or Highway Tanks

· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.

· Do not get water inside containers.

· Cool containers with flooding quantities of water until well after fire is out.

· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.

· ALWAYS stay away from tanks in direct contact with flames.

13.7.7 Other Standards Regulations and Guidelines

Australia: 10 ppm, STEL 15 ppm (STEL deletion proposed) (1990); Federal Republic of Germany: 10 ppm, short-term level 20 ppm, 5 min, 8 times per shift (1991); Sweden: 10 ppm, short-term value 15 ppm, 15 min (1990); United Kingdom: 10 ppm, 10-min STEL 15 ppm (1991).
American Conference of Governmental Industrial Hygienists, Inc. Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: ACGIH, 1991., p. 1294

13.7.8 Inhalation Risk

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

13.7.9 Effects of Short Term Exposure

The substance is very corrosive to the eyes, skin and respiratory tract.

13.7.10 Allowable Tolerances

Postharvest application of propanoic acid or a mixture of methylene bispropionate and oxy(bismethylene) bisproprionate when used as a fungicide is exempted from the requirement of a tolerance for residues in or on the following raw agricultural commodities: Alfalfa, barley grain, Bermuda grass, bluegrass, brome grass, clover, corn grain, cowpea hay, fescue, lespedeza, lupines, oat grain, orchard grass, peanut hay, peavine hay, rye grass, sorghum grain, soybean hay, sudan grass, timothy, vetch, and wheat grain.
40 CFR 180.1023(a); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Propanoic acid is exempt from the requirement of a tolerance for residues in or on meat and meat byproducts of cattle, sheep, hogs, goats, horses, and poultry, milk, and eggs when applied as a bactericide/fungicide to livestock drinking water, poultry litter, and storage areas for silage and grain.
40 CFR 180.1023(b); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Preharvest and postharvest application of propanoic acid (CAS Reg. No. 79-09-4), propanoic acid, calcium salt (CAS Reg. No. 4075-81-4), and propanoic sodium salt (CAS Reg. No. 137-40-6) are exempted from the requirement of a tolerance on all crops when used as either an active or inert ingredient in accordance with good agricultural practice in pesticide formulations applied to growing crops, to raw agricultural commodities before and after harvest and to animals.
40 CFR 180.1023(c); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov

13.7.11 Personal Protective Equipment (PPE)

Excerpt from NIOSH Pocket Guide for Propionic acid:

Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact.

Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact.

Wash skin: WHEN CONTAMINATED - The worker should immediately wash the skin when it becomes contaminated.

Remove: WHEN WET OR CONTAMINATED - Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Change: No recommendation is made specifying the need for the worker to change clothing after the workshift.

Provide:

• EYEWASH - Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substances; this is irrespective of the recommendation involving the wearing of eye protection.

• QUICK DRENCH - Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.] (NIOSH, 2024)

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

Air-supplied mask for high vapor concn; plastic gloves; face shield.
U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5.
Wear special protective clothing and positive pressure self-contained breathing apparatus.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127
Wear appropriate personal protective clothing to prevent skin contact.
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Wear appropriate eye protection to prevent eye contact.
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
For more Personal Protective Equipment (PPE) (Complete) data for PROPIONIC ACID (6 total), please visit the HSDB record page.

(See personal protection and sanitation codes)

Skin: Prevent skin contact - Wear appropriate personal protective clothing to prevent skin contact.

Eyes: Prevent eye contact - Wear appropriate eye protection to prevent eye contact.

Wash skin: When contaminated

Remove: When wet or contaminated

Change: No recommendation

Provide: Eyewash, Quick drench

13.7.12 Respirator Recommendations

13.7.13 Preventions

Fire Prevention
NO open flames, NO sparks and NO smoking. NO contact with strong bases, strong oxidizing agents or metals. See Chemical Dangers. Above 54 °C use a closed system, ventilation and explosion-proof electrical equipment.
Exposure Prevention
AVOID ALL CONTACT!
Inhalation Prevention
Use ventilation and local exhaust.
Skin Prevention
Protective gloves. Protective clothing.
Eye Prevention
Wear face shield.
Ingestion Prevention
Do not eat, drink, or smoke during work.

13.8 Stability and Reactivity

13.8.1 Air and Water Reactions

Water soluble. Dilution with water causes release of heat.
Dilution with water causes release of heat.

13.8.2 Reactive Group

Acids, Carboxylic

Acids, Carboxylic

Water and Aqueous Solutions

13.8.3 Reactivity Profile

PROPIONIC ACID is a colorless, oily liquid, moderately toxic, corrosive. Flammable when exposed to heat, flame or oxidizers. When heated to decomposition it emits acrid smoke and irritating fumes [Lewis, 3rd ed., 1993, p. 1090].
PROPIONIC ACID, [SOLUTION] reacts as an acid to neutralize bases in exothermic reactions. Burns when exposed to heat, flame or oxidizers. When heated to decomposition emits acrid smoke and irritating fumes [Lewis, 3rd ed., 1993, p. 1090].

13.8.4 Hazardous Reactivities and Incompatibilities

Alkalis, strong oxidizers (e.g., chromium trioxide) [Note: Corrosive to steel].
NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)
Reacts with oxidizing materials and caustic substances.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127

13.9 Transport Information

13.9.1 DOT Emergency Guidelines

/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Fire or Explosion: Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
U.S. Department of Transportation. 2012 Emergency Response Guidebook. Washington, D.C. 2012
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Health: May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
U.S. Department of Transportation. 2012 Emergency Response Guidebook. Washington, D.C. 2012
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
U.S. Department of Transportation. 2012 Emergency Response Guidebook. Washington, D.C. 2012
/GUIDE 132: FLAMMABLE LIQUIDS - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
U.S. Department of Transportation. 2012 Emergency Response Guidebook. Washington, D.C. 2012
For more DOT Emergency Guidelines (Complete) data for PROPIONIC ACID (8 total), please visit the HSDB record page.

13.9.2 DOT ID and Guide

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

UN 1848; Propionic acid
IMO 8.0; Propionic acid

13.9.4 Standard Transportation Number

49 314 47; Propionic acid solution
49 314 48; Propionic acid

13.9.5 Shipment Methods and Regulations

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; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 15, 2006: https://www.ecfr.gov
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.
International Air Transport Association. Dangerous Goods Regulations. 47th Edition. Montreal, Quebec Canada. 2006., p. 243
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.
International Maritime Organization. International Maritime Dangerous Goods Code. London, UK. 2004., p. 91

13.9.6 DOT Label

Corrosive

13.9.7 Packaging and Labelling

Do not transport with food and feedstuffs.

13.9.8 UN Classification

UN Hazard Class: 8; UN Pack Group: III

13.10 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Propanoic acid
Status Regulation (EC)
2004/129/EC
REACH Registered Substance
REACH Registered Substance
New Zealand EPA Inventory of Chemical Status
Propionic acid: Does not have an individual approval but may be used under an appropriate group standard
New Zealand EPA Inventory of Chemical Status
Fatty acids, C18-22: Does not have an individual approval but may be used under an appropriate group standard

13.10.1 Atmospheric Standards

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Propionic acid is produced, as an intermediate or a final product, by process units covered under this subpart.
40 CFR 60.489; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov

13.10.2 Clean Water Act Requirements

Propionic acid is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.
40 CFR 116.4; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov

13.10.3 CERCLA Reportable Quantities

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
40 CFR 302.4; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov

13.10.4 FIFRA Requirements

Postharvest application of propanoic acid or a mixture of methylene bispropionate and oxy(bismethylene) bisproprionate when used as a fungicide is exempted from the requirement of a tolerance for residues in or on the following raw agricultural commodities: alfalfa, barley grain, Bermuda grass, bluegrass, brome grass, clover, corn grain, cowpea hay, fescue, lespedeza, lupines, oat grain, orchard grass, peanut hay, peavine hay, rye grass, sorghum grain, soybean hay, sudan grass, timothy, vetch, and wheat grain.
40 CFR 180.1023(a); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Propanoic acid is exempt from the requirement of a tolerance for residues in or on meat and meat byproducts of cattle, sheep, hogs, goats, horses, and poultry, milk, and eggs when applied as a bactericide/fungicide to livestock drinking water, poultry litter, and storage areas for silage and grain.
40 CFR 180.1023(b); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Preharvest and postharvest application of propanoic acid (CAS Reg. No. 79-09-4), propanioc acid, calcium salt (CAS Reg. No. 4075-81-4), and propanioc sodium salt (CAS Reg. No. 137-40-6) are exempted from the requirement of a tolerance on all crops when used as either an active or inert ingredient in accordance with good agricultural practice in pesticide formulations applied to growing crops, to raw agricultural commodities before and after harvest and to animals.
40 CFR 180.1023(c); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Based on the reviews of the generic data for the active ingredient propionic acid, the products containing this active ingredient are eligible for reregistration. Section 4(g)(2)(B) of FIFRA calls for the EPA to obtain any needed product-specific data regarding the pesticide after a determination of eligibility has been made. The EPA will review these data when they have been submitted and/or cited and determine whether to reregister individual products.
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Propionic Acid and Salts, September 1991. Available from, as of June 21, 2006: https://www.epa.gov/pesticides/reregistration/status.htm
As the federal pesticide law FIFRA direct, 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. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA 88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Propionic acid is found on List D. Case No: 4078; Case Status: RED Approved 09/91 - OPP has made a decision that some/all uses of the pesticide are eligible for reregistration, as reflected in a Reregistration Eligibility Decision (RED) Document. Active ingredient (AI): Propionic acid; AI Status: RED Completed - OPP has completed a Reregistration Eligibility Decision (RED) document for the case/AI.
United States Environmental Protection Agency/ Prevention, Pesticides and Toxic Substances; Status of Pesticides in Registration, Reregistration, and Special Review. (1998) EPA 738-R-98-002, p. 333

13.10.5 FDA Requirements

Substance added directly to human food affirmed as generally recognized as safe (GRAS).
21 CFR 184.1081; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Propionic acid used as a chemical preservative in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
21 CFR 582.3081; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov
Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: propionic acid is included in topical antifungal drug products.
21 CFR 310.545; U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of June 21, 2006: https://www.ecfr.gov

13.11 Other Safety Information

Chemical Assessment

IMAP assessments - Propanoic acid: Human health tier II assessment

IMAP assessments - Propanoic acid: Environment tier I assessment

13.11.1 Toxic Combustion Products

Products of combustion include carbon dioxide and carbon monoxide as well as irritating fumes.
Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 49-127

13.11.2 Special Reports

Leung HW, Paustenbach DJ; Organic Acids and Bases: Review of Toxicological Studies; Am J Ind Med 18 (6): 717-35 (1990).
USEPA/Office of Pesticide Programs; Reregistration Eligibility Decision Document - Propionic Acid and Salts, September 1991. The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of June 21, 2006: http://www.epa.gov/pesticides/reregistration/status.htm]

14 Toxicity

14.1 Toxicological Information

14.1.1 Toxicity Summary

In healthy individuals, the enzyme propionyl CoA carboxylase converts propionyl CoA to methylmalonyl CoA. This is one step in the process of converting certain amino acids and fats into sugar for energy. Individuals with propionic acidemia cannot perform this conversion because the enzyme propionyl CoA carboxylase is nonfunctional. The essential amino acids; isoleucine, valine, threonine, and methionine and odd-chain fatty acids are simply converted to propionyl CoA, before the process stops, leading to a buildup of propionyl CoA. Instead of being converted to methylmalonyl CoA, propionyl CoA is then converted into propionic acid, which builds up in the bloodstream. Propionyl-CoA, propionic acid, ketones, ammonia, and other toxic compounds accumulate in the blood, causing the signs and symptoms of propionic acidemia. Propionate acts as a metabolic toxin in liver cells by accumulating in mitochondria. Propanoate is metabolized oxidatively by glia, which suggests astrocytic vulnerability in propanoic acidemia when intramitochondrial propionyl-CoA may accumulate. Propanoic acidemia may alter both neuronal and glial gene expression by affecting histone acetylation (A15452, A15453). (Wikipedia)
A15452: MacFabe DF, Cain DP, Rodriguez-Capote K, Franklin AE, Hoffman JE, Boon F, Taylor AR, Kavaliers M, Ossenkopp KP: Neurobiological effects of intraventricular propionic acid in rats: possible role of short chain fatty acids on the pathogenesis and characteristics of autism spectrum disorders. Behav Brain Res. 2007 Jan 10;176(1):149-69. Epub 2006 Sep 1. PMID:16950524
A15453: Nguyen NH, Morland C, Gonzalez SV, Rise F, Storm-Mathisen J, Gundersen V, Hassel B: Propionate increases neuronal histone acetylation, but is metabolized oxidatively by glia. Relevance for propionic acidemia. J Neurochem. 2007 May;101(3):806-14. Epub 2007 Feb 5. PMID:17286595

14.1.2 NIOSH Toxicity Data

14.1.3 Carcinogen Classification

Carcinogen Classification
No indication of carcinogenicity to humans (not listed by IARC).

14.1.4 Health Effects

Propionic acid occurs in chronically high levels in propionic acidemia. Propionic acidemia, also known as propionic aciduria, propionyl-CoA carboxylase deficiency and ketotic glycinemia, is an autosomal recessive metabolic disorder, classified as a branched-chain organic acidemia. The disorder presents in the early neonatal period with progressive encephalopathy. Death can occur quickly, due to secondary hyperammonemia, infection, cardiomyopathy, or basal ganglial stroke. In many cases, propionic acidemia can damage the brain, heart, and liver, cause seizures, and delays to normal development like walking and talking. (Wikipedia)

14.1.5 Exposure Routes

The substance can be absorbed into the body by inhalation of its vapour, by ingestion and through the skin.
inhalation, skin absorption, ingestion, skin and/or eye contact

14.1.6 Symptoms

Inhalation Exposure
Cough. Sore throat. Burning sensation. Shortness of breath.
Skin Exposure
Redness. Pain. Skin burns. Blisters.
Eye Exposure
Redness. Pain. Blurred vision. Severe burns.
Ingestion Exposure
Burning sensation. Sore throat. Abdominal pain. Vomiting. Shock or collapse.
irritation eyes, skin, nose, throat; blurred vision, corneal burns; skin burns; abdominal pain, nausea, vomiting
Propionic acidemia is characterized almost immediately in newborns. Symptoms include poor feeding, vomiting, dehydration, acidosis, low muscle tone (hypotonia), seizures, and lethargy. The effects of propionic acidemia quickly become life-threatening. (Wikipedia)

14.1.7 Target Organs

Eyes, skin, respiratory system

14.1.8 Adverse Effects

Dermatotoxin - Skin burns.

14.1.9 Acute Effects

14.1.10 Treatment

During times of illness the affected person may need to be hospitalized to prevent breakdown of proteins within the body. Each meal presents a challenge to those with propionic acidemia. If not constantly monitored, the effects would be devastating. Dietary needs must be closely managed by a metabolic geneticist or metabolic dietician. Patients with propionic acidemia should be started as early as possible on a low protein diet. In addition to a protein mixture that is devoid of methionine, threonine, valine, and isoleucine, the patient should also receive L-carnitine treatment and should be given antibiotics 10 days per month in order to remove the intestinal propiogenic flora. The patient should have diet protocols prepared for him with a “well day diet” with low protein content, a “half emergency diet” containing half of the protein requirements, and an “emergency diet” with no protein content. These patients are under the risk of severe hyperammonemia during infections that can lead to comatose states. Liver transplant is gaining a role in the management of these patients, with small series showing improved quality of life. (Wikipedia)

14.1.11 Interactions

The objective was to study the conversion of propionate to glucose by liver of the sheep during experimentally induced liver necrosis. ... Sodium propionate (3 mmol/kg) was injected iv into 6 healthy sheep before and after they were given carbon tetrachloride (20% carbon tetrachloride in mineral oil; 0.25 ml of carbon tetrachloride/kg, orally. ... Microscopically, liver necrosis was observed, as well as increase of fatty infiltration in nonnecrotic liver tissue.
Grohn Y et al; Am J Vet Res 46 (4): 952-8 (1985)
The t1/2 of the iv sodium propionate load increased significantly, from 6.9 +/- 0.4 min in the control sheep to 12.8 +/- 2 min in the carbon tetrachloride treated sheep, whereas an insignificant increase was seen after fasting (6.8 +/- 1 min to 8.3 +/- 1 min). /Sodium propionate/
Grohn Y et al; Am J Vet Res 46 (4): 952-8 (1985)
... Antagonism was observed with soybean meal, fish meal, poultry by-product meal and limestone. Corn gluten meal was without effect while the addition of fat to corn meal enhanced the activity of propionic acid.
Dixon RC, Hamilton PB; Poult Sci 60 (11): 2407-2411 (1981)

14.1.12 Antidote and Emergency Treatment

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... Monitor for shock and treat if necessary ... For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... Do not attempt to neutralize because of exothermic reaction. Cover skin bumps with dry, sterile dressings after decontamination ... /Organic acids and related compounds/
Bronstein, A.C., P.L. Currance; Emergency Care for Hazardous Materials Exposure. 2nd ed. St. Louis, MO. Mosby Lifeline. 1994., p. 152-3
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... Start an IV with D5W TKO /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if hypotensive with a normal fluid volume. Watch for signs of fluid overload ... Use proparacaine hydrochloride to assist eye irrigation ... /Organic acids and related compounds/
Bronstein, A.C., P.L. Currance; Emergency Care for Hazardous Materials Exposure. 2nd ed. St. Louis, MO. Mosby Lifeline. 1994., p. 153

14.1.13 Human Toxicity Excerpts

/SIGNS AND SYMPTOMS/ Medical reports of acute exposures of workers to propionic acid show mild to moderate skin burns, mild eye redness, and one case of mild cough and asthmatic response.
American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2005., p. 1
/OTHER TOXICITY INFORMATION/ In humans, propionic acid is a normal intermediary metabolite that represents up to 4% of the normal, total plasma fatty acid and is utilized by most organs and tissues ... No adverse cumulative health effects have been associated with industrial exposures to propionic acid ... Aqueous solutions of sodium propionate at concentrations up to 15% had no irritating effect on humans and have been used in treating of external infections of the eyes.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:707
/OTHER TOXICITY INFORMATION/ Taking 6 g sodium propionate orally over several days gave slightly alkaline urine without any further effects. /Sodium propionate/
Ullmann's Encyclopedia of Industrial Chemistry. 6th ed.Vol 1: Federal Republic of Germany: Wiley-VCH Verlag GmbH & Co. 2003 to Present, p. V. 30 271 (2003)
/OTHER TOXICITY INFORMATION/ Treatment with L-carnitine greatly enhanced the formation and excretion of short-chain acylcarnitines in three patients with propionic acidemia and in three normal controls. Mass spectrometry ... identified the acylcarnitine as propionylcarnitine in patients with propionic acidemia. The normal children excreted mostly acetylcarnitine. Propionic acidemia and other organic acidurias are characterized by the intramitochondrial accumulation of short-chain acyl-Coenzyme A (CoA) compounds. The substrate specificity of the carnitine acetyltransferase enzyme and its steady state nature appears to facilitate elimination of propionyl groups while restoring the acyl-acyl-Coenzyme A:free acyl-CoenzymeA ratio in the mitochondrion. L-carnitine may be a useful therapeutic approach for elimination of toxic acyl acyl-Coenzyme A compounds in several of these disorders.
Roe CR et al; J Clin Invest 73 (6): 1785-8 (1984)
/OTHER TOXICITY INFORMATION/ The predictive value of /propionic acid causing forestomach tumors/ ... in humans is ... problematic because humans have no forestomach and food transit times are much faster.
Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:706

14.1.14 Non-Human Toxicity Excerpts

/LABORATORY ANIMALS: Acute Exposure/ The results of acute lethality tests ... show low acute toxicity for propionic acid. Local damage may occur to the skin, eyes, or mucosal surfaces on contact with concentrated solutions of propionic acid. /It was/ reported that 10 mg of propionic acid applied for 24 h produced tissue necrosis in the rabbit skin irritation test, but the same quantity of propionic acid had little effect as a 10% solution in acetone.[Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 5:705]
/LABORATORY ANIMALS: Acute Exposure/ ... Tested on rabbit eyes caused severe injury, graded 9 on a scale of 10 after 24 hours, with particular regard to effect on the cornea. Comparing rate of penetration through whole corneas in vitro ... /investigators/ found propionic acid to penetrate at pH 2 more readily than stronger acids, but at pH 1 to penetrate at the same rate as most common acids.[Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 767]
/LABORATORY ANIMALS: Acute Exposure/ In a rabbit skin irritation test, tissue necrosis was observed after application of 10 mg of undiluted propionic acid for 24 hours. The compound is corrosive to the gastric lining and, upon oral intubation, results in desquamation and hemorrhage.[American Conference of Governmental Industrial Hygienists. Documentation of the TLV's and BEI's with Other World Wide Occupational Exposure Values. CD-ROM Cincinnati, OH 45240-1634 2005., p. 1]
/LABORATORY ANIMALS: Acute Exposure/ The effects on renal potassium excretion of 1 hr iv infusion of propionate was studied in mature, conscious fasted ewes. Renal potassium excretion was incr by feeding and by propionate and acetate treatments but not by infusion of glucagon, insulin, and bicarbonate. The mechanisms responsible for the acetate- and propionate-induced kaliuresis are not clear but do not appear to include changes in plasma potassium, glucagon, and insulin or in urine flow and urine sodium excretion. /Propionate/[Rabionowitz L et al; Am J Physiol 246 (2, Part 2): 197-204 (1984)]
For more Non-Human Toxicity Excerpts (Complete) data for PROPIONIC ACID (26 total), please visit the HSDB record page.

14.1.15 Non-Human Toxicity Values

LD50 Mouse iv 625 mg/kg
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3069
LD50 Rat single oral > 400 mg/kg
Verschueren, K. Handbook of Environmental Data of Organic Chemicals. 2nd ed. New York, NY: Van Nostrand Reinhold Co., 1983., p. 1025
LD50 Rat oral 2600 mg/kg
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3069
LD50 Rat parenteral 3500 mg/kg
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 3069
For more Non-Human Toxicity Values (Complete) data for PROPIONIC ACID (6 total), please visit the HSDB record page.

14.1.16 TSCA Test Submissions

Propionic acid (79-09-4) was evaluated for acute oral toxicity in groups of 5 Sprague-Dawley Albino rats (alternately 2 and 3 males and females, respectively/group) given single undiluted dermal doses of 794, 1000, 1,260, 1,580, and 2,000 mg/kg bodyweight by oral gavage. Treatment was associated with diminished appetite and hypoactivity between Days 3 and 7 in study survivors, and increasing weakness, collapse and mortality within 1 to 12 days post-gavage in the study lethalities. An acute oral LD50 (with 95% confidence limits) in rats was 960 (835-1,090) mg/kg bodyweight. Upon necropsy, slight liver discoloration and marked gastrointestinal inflammation characterized gross pathology identified solely in study decedents.
Monsanto Co; Toxicological Investigation of CP 66423; 06/16/75; EPA Document No. 88-920007558; Fiche No. OTS0545750
Propionic acid (79-09-4) was evaluated for acute dermal toxicity in solitary New Zealand white rabbits (alternately male and female rabbits/dose) administered single undiluted applications of 316, 501, 794, 1,260, and 2,000 mg/kg bodyweight for 24 hours. Treatment was associated with diminished appetite and hypoactivity between Days 2 and 3 in study survivors, and increasing weakness, collapse and mortality within 1 to 3 days post-dosing in the study lethalities. An acute dermal LD50 in rabbits was between 501 and 794 mg/kg bodyweight. Upon necropsy, focal hemorrhage of the lungs, discoloration of the liver and kidney, enlarged gall bladder, and gastrointestinal inflammation characterized gross pathology identified solely in study decedents. No further information regarding method or findings was provided.
Monsanto Co; Toxicological Investigation of CP 66423; 06/16/75; EPA Document No. 88-920007558; Fiche No. OTS0545750
Propionic acid (79-09-4) was evaluated for primary dermal irritation in 6 New Zealand Albino rabbits, each administered 0.5 mL undiluted dermal applications upon occluded intact and abraded sites, collateral to the dorsal midline, for 24 hours. Treatment resulted in maximal scores for erythema and edema, with chemical burns at all intact and abraded sites within 1 hour post-treatment. The corrosive response was universal and unabated, with irreversible damage noted throughout 7-day post-treatment observation.
Hoechst Celanese Corp; Primary Skin Irritation Tests with Eighteen Materials in Albino Rabbits; 07/27/92; EPA Document No. 86-890001277; Fiche No. OTS0520783

14.1.17 Protein Binding

Readily accessible data regarding the protein binding of propionic acid is not available.

14.2 Ecological Information

14.2.1 EPA Ecotoxicity

Pesticide Ecotoxicity Data from EPA

14.2.2 Ecotoxicity Values

LC50 Pimephales promelas (Fathead minnow) 4740 mg/L/96 hr (confidence limit 4390-5120 mg/L), flow-through bioassay with measured concentrations, 24.7 °C, dissolved oxygen 6.1 mg/L, hardness 40.5 mg/L CaCO3, alkalinity 42.2 mg/L CaCO3, and pH 7.60. Tank concentrations were corrected for sodium concentrations of 23.9%. /Propionic acid sodium salt/
Brooke, L.T., D.J. Call, D.T. Geiger and C.E. Northcott (eds.). Acute Toxicities of Organic Chemicals to Fathead Minnows (Pimephales Promelas). Superior, WI: Center for Lake Superior Environmental Studies Univ. of Wisconsin Superior, 1984., p. 43
LC50 Daphnia magna 130 mg/L/24 hr /Conditions of bioassay not specified/
Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 1847
LC50 Daphnia magna 50 mg/L/48 hr /Conditions of bioassay not specified/
Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 1847
EC50 Daphnia magna (Water flea; intoxication, immobilization) 22.7 ppm/48 hr (95% confidence limit: 21.0-24.6 ppm); static
USEPA, Office of Pesticide Programs; Pesticide Ecotoxicity Database (2000) on Propionic acid (79-09-4). Available from, as of April 20, 2006
For more Ecotoxicity Values (Complete) data for PROPIONIC ACID (17 total), please visit the HSDB record page.

14.2.3 ICSC Environmental Data

The substance is harmful to aquatic organisms.

14.2.4 Environmental Fate / Exposure Summary

Propionic acid's production and use in animal feed, as a grain preservative, calcium and sodium salt production, cellulose ester production, plastic dispersions, pharmaceuticals, and flavors and fragrances may result in its release to the environment through various waste streams. Propionic acid is formed from various enzymatic and fermentation processes and is produced during anaerobic carbohydrate fermentation in the stomachs of ruminants. It occurs in dairy products in small amounts and its esters are found in some essential oils. If released to air, a vapor pressure of 3.53 mm Hg at 25 °C indicates propionic acid will exist solely as a vapor. Vapor-phase propionic acid 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 13 days. Propionic acid is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum. If released to soil, propionic acid is expected to have very high mobility based upon an estimated Koc of 36. The pKa of propionic acid is 4.87, indicating that this compound will exist primarily in anion form in the environment anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. Propionic acid in its anionic form would not volatilize from water or moist soil surfaces. Propionic acid is expected to volatilize from dry soil surfaces based upon its vapor pressure. Propionic acid is expected to biodegrade rapidly in most environmental conditions based on the results of a sewage inoculum screening test with theoretical BODs ranging from 23-55%. If released into water, propionic acid is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. A pKa of 4.87 indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. An estimated BCF of 3.2 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to propionic acid may occur through dermal contact with this compound at workplaces where propionic acid is produced or used. Monitoring data indicate that the general population may be exposed to propionic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound and other consumer products containing propionic acid. Propionic acid was widely detected in landfill leachates and wastewater from industrial areas. (SRC)

14.2.5 Natural Pollution Sources

... Compounds reported present in rose geranium oils include ... acids ( ... propionic ...)
Leung, A.Y., Foster, S. Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics. New York, NY. John Wiley & Sons, Inc. 1996., p. 270
Propionic acid is formed as the free acid in various enzymatic and fermentation processes and is produced during anaerobic carbohydrate fermentation in the stomachs of ruminants(1). Propionic acid occurs in dairy products in small amounts(2). This compound occurs predominantly in the form of its esters in some essential oils(1).
(1) Samel U-R et al; Ullmann's Encycl Indust Chem 5th ed. NY,NY: VCH Publ A22: 223-38 (1993)
(2) O'Neil MJ, ed; The Merck Index. 13th ed. Whitehouse Station, NJ: Merck and Co., Inc. p. 1401 (2001)

14.2.6 Artificial Pollution Sources

Propionic acid's use in the production of cellulose esters and use as a preservative, flavor, fragrance(1), and constituent in cigarettes(2) may result in its release to the environment through various waste streams.
(1) Gerhartz W, ed; Ullmann's Encycl of Indust Chem. 5th ed. Deerfield Beach, FL: VCH Publishers VA22: 223 (1993)
(2) Rom WN, ed; Environmental and Occupational Medicine. 2nd ed. Boston, MA: Little, Brown and Company, p. 1212 (1992)

14.2.7 Environmental Fate

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 36(SRC), determined from a log Kow of 0.33(2) and a regression-derived equation(3), indicates that propionic acid is expected to have very high mobility in soil(SRC). The pKa of propionic acid is 4.87(4), indicating that this compound will exist primarily in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Propionic acid in its anionic form would not volatilize from water or moist soil surfaces(SRC). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.53 mm Hg(6). Propionic acid is expected to be readily biodegradable under most environmental conditions based on the results of a sewage inoculum screening test that measured theoretical BODs ranging from 23-55%(7).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p.6 (1995)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990)
(4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979)
(5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
(6) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
(7) Heukelekian H, Rand MC; J Water Pollut Control Assoc 29: 1040-53 (1955)
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 36(SRC), determined from a log Kow of 0.33(2) and a regression-derived equation(3), indicates that propionic acid is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.87(4) indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3.2(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Propionic acid is expected to be readily biodegradable in most environmental conditions based on the results of a sewage screening test that measured theoretical BODs of 23-55%(8).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 6 (1995)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9, 15-1 to 15-29 (1990)
(4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979)
(5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000)
(6) Franke C et al; Chemosphere 29: 1501-14 (1994)
(7) Meylan WM et al; Environ Toxicol Chem 18: 664-72 (1999)
(8) Heukelekian H, Rand MC; J Water Pollut Control Assoc 29: 1040-53 (1955)
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semi-volatile organic compounds in the atmosphere(1), propionic acid, which has a estimated vapor pressure of 3.53 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propionic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 13 days(SRC), calculated from its rate constant of 1.22X10-12 cu cm/molecule-sec at 25 °C(3). Propionic acid is not expected to directly photolyze due to the lack of absorbance in the environmental UV spectrum.
(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988)
(2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
(3) Atkinson R; J Phys Chem Ref Data Monograph No. 1 (1989)

14.2.8 Environmental Biodegradation

AEROBIC: a number of aerobic biological screening studies, which utilized settled waste water, sewage, or activated sludge for inocula, have demonstrated that propionic acid is readily biodegradable(1-14). For example, 5 day theoretical BOD's of 23-55%(6), 37%(15), 40%(9) and 71%(2) have been reported. These studies indicate propionic acid should degrade rapidly under most environmental conditions.
(1) Dawson PSS, Jenkins SH; Sew Ind Wastes 22: 490-507 (1950)
(2) Dias FF, Alexander M; Appl Microbiol 22: 1114-8 (1971)
(3) Gaffney PE, Heukelekian H; Sew Indust Wastes 30: 503 (1958)
(4) Gaffney PE, Heukelekian H; Sew Indust Wastes 30: 673-9 (1958)
(5) Gaffney PE, Heukelekian H; J Water Pollut Control Fed 33: 1169-83 (1961)
(6) Heukelekian H, Rand MC; J Water Pollut Control Assoc 29: 1040-53 (1955)
(7) Ishikawa S et al; Water Res 13: 681-5 (1979)
(8) Malaney GW, Gerhold RM; Proc 17th Indust Waste Conf Purdue Univ Ext Ser 112: 249-57 (1962)
(9) Malaney GW, Gerhold RM; J Water Pollut Control Fed 41: R18-R33 (1969)
(10) McKinney RE et al; Sew Indust Wastes 28: 547-57 (1956)
(11) Takemoto S et al; Suishitsu Odaku Kenkyu 4: 80-90 (1981)
(12) Thom NS, Agg AR; Proc R Soc Lond B 189: 347-57 (1975)
(13) Urano K, Kato Z; J Hazardous Materials 13: 147-59 (1986
(14) Yonezawa Y et al; Kogai Shigen Kenkyusho Iho 12: 85-91 (1982)
(15) Dore M et al; Trib Cebedeau 28: 3-11 (1975)
ANAEROBIC: Propionic acid was biodegraded using a variety of methanogenic tests(1). In a bench-top aqueous anaerobic test, propionic acid was completely biodegraded with a half-life of 21 days(2). Using batch flask digesters incubated at 37 °C, 500 mg/L propionic acid was 100% degraded in 6, 8, 10, and 14 days in the presence of <10 mg/L, 530 mg/L, 1060 mg/L, and 2110 mg/L acetic acid, respectively(3).
(1) Colleran E et al; Wat Sci Tech 25: 31-40 (1992)
(2) Kameya T et al; Sci Total Environ 170: 43-51 (1995)
(3) Mawson AJ et al; Wat Res 25: 1549-54 (1991)

14.2.9 Environmental Abiotic Degradation

The rate constant for the vapor-phase reaction of propionic acid with photochemically-produced hydroxyl radicals is measured as 1.22X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 13 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). Propionic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Propionic acid is not expected to directly photolyze due to the lack of absorbance in the environmental UV spectrum.
(1) Atkinson R; J Phys Chem Ref Data Monograph No. 1 (1989)
(2) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 7-4, 7-5 (1990)

14.2.10 Environmental Bioconcentration

An estimated BCF of 3.2 was calculated for propionic acid(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.
(1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington,DC: Amer Chem Soc p. 6 (1995)
(2) Meylan WM et al; Environ Toxicol Chem 18: 664-672 (1999)
(3) Franke C et al; Chemosphere 29: 1501-14 (1994)

14.2.11 Soil Adsorption / Mobility

The Koc of propionic acid is estimated as 36(SRC), using a log Kow of 0.33(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionic acid is expected to have very high mobility in soil. The pKa of propionic acid is 4.87(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
(1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 6 (1995)
(2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990)
(3) Swann RL et al; Res Rev 85: 17-28 (1983)
(4) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979)
(5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

14.2.12 Volatilization from Water / Soil

A pKa of 4.87(1) indicates propionic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Propionic acid is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 3.35 mm Hg(3).
(1) Serjeant EP, Dempsey B; Ionization Constants of Organic Acids in Aqueous Solution. Inter Union Pure Appl Chem (IUPAC). IUPAC Chem Data Ser No. 23. NY, NY: Pergamon Press, Inc. (1979)
(2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000)
(3) Daubert TE, Danner RP; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data. NY, NY: Am Inst for Phys Prop Data (1985)

14.2.13 Environmental Water Concentrations

GROUNDWATER: Propionic acid was detected in groundwater samples near a coal gasification site near Hoe Creek in northeastern Wyoming(1). Propionic acid has been detected in groundwaters contaminated with leachates from municipal and industrial landfills, and hazardous waste sites(2-4). Leachates at sites from the Netherlands, United Kingdom, Canada, France and Spain contained propionic acid at concn of 3.4, 1.36, 1.01, 5.25 and 0.91 g/L, respectively(4). Wood preserving chemicals at Pensacola, FL are responsible for propionic acid concn of 23.60 and 0.02 mg/L at ground water depths of 6 and 18 m, respectively(5).
(1) Stuermer DH et al; Environ Toxicol Chem 16: 582-7 (1982)
(2) Albaiges J et al; Wat Res 20: 1153-9 (1986)
(3) Burrows WD, Rowe RS; J Water Pollut Control Fed 47: 92-3 (1975)
(4) Lema JM et al; Water Air Soil Pollut 40: 223-50 (1988)
(5) Goerlitz DF et al; Environ Sci Technol 19: 995-61 (1985)
SURFACE WATER: Ohio and Little Miami Rivers and Tanners Creek, Ohio water contained propionic acid at concentrations ranging from 0.1 to 0.8 ug/L(1). Water samples from Lake Kizaki, Japan on Oct 28, 1977 contained propionic acid at concentrations ranging from undetected levels to 90 ugC/L(2).
(1) Murtaugh JJ, Bunch RL; J Water Pollut Control Fed 37: 410-5 (1965)
(2) Hama T, Handa N; Rikusiugaka Zasshi 42: 8-19 (1981)
RAIN/SNOW/FOG: Between March 15 and May 28, 1984, the propionate ion was detected in precipitation collected at Round and Geneva Lakes, Wisconsin at concn up to 2.7 umol/L(2). Rain water at Brookhaven National Laboratory at Upton, NY contained the propionate ion at trace concn(2). Rain water at Hannover, Germany contained propionic acid(3). In July 1975, propionic acid was detected in precipitation collected at Ithaca, NY at a mean concn of 1.0 u equivalent/L(4). Between 1969 and 1971, propionic acid was detected in precipitation collected at Voronezh, USSR at concn ranging from undetected levels to 73.7 m equivalent/L(4). Rain and snow samples collected at nine southern California sites and times series rain samples obtained during 13 rain events were found to contain propionic acid concns ranging from 0.058 to 0.71 umol(5). It was also found that concns decrease as a function of time, indicating that carboxylic acids are scavenged early in wet precipitation events by raindrops(5). Propionic acid has been detected at a concn of 0-9 umol in fog samples from four sites in the San Joachin Valley, CA at a concn of 2.3 uM in dew from Los Angeles, CA(6).
(1) Chapman et al; Atmos Environ 20: 1717-27 (1986)
(2) Hoffman WA Jr, Tanner RL; Detection of Organic Acids in Atmospheric Precipitation BNL-51922 NTIS DE86 005294 Brookhaven National Lab Environ Chem Div Dept Appl Sci pp. 21 (1986)
(3) Winkeler HD et al; Vom Wasser 70: 107-17 (1988)
(4) Mazurek MA, Simoneit BRT; Organic Components in Bulk and Wet-only Precipitation. CRC Critical Review Environ Control 16: 1-140 (1986)
(5) Kawamura K et al; Atmos Environ 30: 1035-52 (1996)
(6) Grosjean D et al; Measurements Organic Acids in South Coast Air Basin. Sacramento, CA: Air Resources Boards. ARB-R-88/3/75. NTIS PB89-145411 (1989)

14.2.14 Effluent Concentrations

Propionic acid may be released to the aquatic environment in wastewater discharges from industry and sewage treatment facilities. In response to the June 1976 consent decree, the EPA surveyed the wastewaters of 46 industrial categories for 129 priority pollutants. Propionic acid was detected in 2 of 21 industrial categories of wastewater effluents(1). Extract from the wastewater of a textile mill contained propionic acid at an average concn of 38,144 ug/L(1). Primary effluents from 3 sewage treatment facilities contained propionic acid at concentrations from 16 to 3,800 ug/L(2). Secondary effluents from 4 sewage treatment facilities contained propionic acid at concentrations from 1.2 to 68 ug/L(2). Propionic acid was detected at a total concn of 6,930 ug/L in distillate and residue samples from landfill leachate collected in Japan(3).
(1) Bursey JT, Pellizzari ED; Analysis of Industrial Wastewater for Organic Pollutants in Consent Degree Survey. Contract No 68-03-2867. Athens, GA: USEPA Environ Res Lab (1982)
(2) Murtaugh JJ, Bunch RL; J Water Pollut Contr Fed 37: 410-5 (1965)
(3) Yasuhara A et al; Kankyo Kagaku 3: 356-7 (1993)
Coal gasification facilities can release propionic acid to groundwater(1). Propionic acid was detected in the wastewater effluent of a coal gasification facility located at the Grand Fork's Energy Technology Center, North Dakota at an estimated concn of 64 mg/L(2). In addition, wastewater effluent from a shale oil facility in Queensland, Australia was shown to contain propionic acid at a concn of 130 mg/L(3). The disposal of waste byproducts from the production of wood preserving chemicals at Pensacola, FL was responsible for the release of propionic acid to ground water(4). Municipal and industrial landfills, and hazardous waste sites via leachates can release propionic acid to groundwater supplies(5,6). Propionic acid was emitted in the exhaust from gasoline and diesel fueled engines in Los Angeles, CA from July to Sept, 1984 at concn ranging from 1.22 to 19 ppb(7).
(1) Stuermer DH et al; Environ Toxicol Chem 16: 582-7 (1982)
(2) Giabbai MF et al; Intern J Environ Anal Chem 20: 113-29 (1985)
(3) Dobson KR et al; Water Res 19: 849-856 (1985)
(4) Goerlitz DF et al; Environ Sci Technol 19: 995-61 (1985)
(5) Albaiges J et al; Wat Res 20: 1153-9 (1986)
(6) Burrows WD, Rowe RS; J Water Air Soil Pollut 40: 223-50 (1988)
(7) Kawamura K et al; Environ Sci Technol 19: 1082-6 (1985)
Propionic acid was detected in landfill leachates at a concn of 986 ug/ml in samples from the Taichung sanitary landfill in Taiwan(1). Waste water from 2 ponds in Spain used in treating waste from olive oil production contained propionic acid at a concn ranging from 32,588 to 2,017,173 ug/L(2). The presence of the compound is a result of the breakdown and oxidation of fatty acids present in the waste(2). Propionic acid was produced during anaerobic lagoon treatment of petrochemical wastes(3). The compound was detected not quantified in head space analysis of a biodegradable household waste sample(4), liquid exudate from garden waste(5), and kitchen waste and kitchen waste exudate(6).
(1) Yan CT, Jen JF; Analyt Chim Acta 259: 259-64 (1992)
(2) Sanchez-Crespo R, Parada Alvarez-Buylla J; pp. 511-17 in Org Micropollut Aquat Environ, Proc Eur Supp 6th (1990)
(3) Hovius JC et al; J Wat Poll Control Fed 45: 71-84 (1973)
(4) Wilkins K; Chemosphere 29: 47-53 (1994)
(5) Wilkins K, Larsen K; Chemosphere 32: 2049-55 (1996)
(6) Wilkins CK; Larsen K; J High Resol Chromatogr 18: 373-7 (1995)
Propionic acid was identified as an organic degradation and emission product from shop primers (0.2-0.4 mg/cu m), primers (not detected to 2 mg/cu m), and finishing paints (not detected to 2 ug/cu m) used on steel ships(1). Sources of propionic acid in the atmosphere of urban and suburban areas in New Mexico have been attributed to photochemical activity on ethanol fuel emissions and wood burning emissions(3). Propionic acid was measured at 0.0013% in UK emissions of volatile organic compounds emitted in 1990(2). An estimated mobile source emission rate of 1,370 kg/day for propionic acid has been calculated for South Coast Air Basin, southern California(4).
(1) Henriks-Eckerman ML et al; Am Ind Hyg Assoc J 51: 241-4 (1990)
(2) Derwent RG; pp. 1-15 in Volatile Organics in the Atmosphere. Hester RE & Harrison RM, eds. Cambridge, UK: Royal Soc Chem (1995)
(3) Gaffney JS et al; Environ Sci Technol 31: 3053-61 (1997)
(4) Grosjean D et al; Measurements of Organic Acids in South Coast Air Basin. Sacramento, CA: Air Resources Boards. ARB-R-88/3/75. NTIS PB89-145411 (1989)

14.2.15 Sediment / Soil Concentrations

The propionate ion was detected in the sediments from 2 of 3 sampling stations of Loch Eil, Scotland(1). At one station, the average concn at depths of 0 to 3, 3 to 6 and 6 to 12 cm were 30.6 ug/g, 0.5 ug/g and trace quantities, respectively(1). At the other, the average concn at depths of 0 to 3, 3 to 6, 6 to 9 and 9 to 12 cm were 59.0, 15.9, 1.1 and 0.5 ug/g, respectively(1).
(1) Miller D et al; Mar Biol 50: 375-83 (1979)

14.2.16 Atmospheric Concentrations

URBAN/SUBURBAN: The average and maximum propionic acid concns for the ambient air over the Netherlands in 1980 was reported to be 0.15 and 2.0 ppb(1). Propionic acid was detected in the ambient air of Los Angeles, CA from July to Sept, 1984 at concn ranging from 0.019 to 0.305 ppb(2). On Sept 24-5, 1984, propionic acid was detected in the ambient air of Los Angeles, CA at an average concn ranging of 0.139 ppb for 3 samples with a high and low concn of 0.154 and 0.126 ppb(2). Propionic acid was detected in three field studies in Albuquerque, NM at 0.6 ppb (summer 1994), 0.6 ppb (winter 1994), and <1 ppb (winter (1995)(3). On Sept 8-9, 1993 propionic acid was detected in the ambient air during a photochemical smog episode in Los Angeles, CA at an average concn of 1.67 ug/cu m for 6 samples with a high and low concn of 0.08 ug/cu m and 2.03 ug/cu m(4).
(1) Guichert R, Schulting FL; Sci Total Environ 43: 193-219 (1985)
(2) Kawamura K et al; Environ Sci Technol 19: 1082-6 (1985)
(3) Gaffney JS et al; Environ Sci Technol 31: 3053-61 (1997)
(4) Nolte CG et al; Eniron Sci Technol 33: 540-45 (1999)
RURAL/REMOTE: Trace amounts, 0.09 nmol/cu m and 0.19 nmol/cu m in course and fine fractions, respectively, were detected in late winter Arctic aerosols at Barrow, Alaska(1). Values for Socorro, NM were <1 ppb (summer 1993), 1.1 ppb (winter 1994), and <1 ppb (winter 1995)(3). In Langmuir, NM, propionic acid was detected at <1 ppb (winter 1995)(2).
(1) Li SM, Winchester JW; Atmos Environ 23: 2401-15 (1989)
(2) Gaffney JS et al; Environ Sci Technol 31: 3053-61 (1997)
SOURCE DOMINATED: In a study monitoring long range transport of photochemical air pollution from the industrial coastal area of Tokyo Bay to central Japan, propionic acid concns were found to fluctuate, increasing during daytime and falling off during night(1,2). This suggests that propionic acid is produced by photooxidation of anthropogenic compounds during long-range transport(1,2).
(1) Satsumabayashi H et al; Tellus 41B: 219-29 (1989)
(2) Satsumabayashi H et al; Atmos Environ 29: 255-66 (1995)

14.2.17 Food Survey Values

PROPIONIC ACID WAS ISOLATED FROM BOILED BEEF IN SLURRY, DRY CURED HAM. /FROM TABLE/
Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 813
... OCCURS ... IN SWISS CHEESE @ LEVELS WHICH MAY BE AS HIGH AS 1%.
Furia, T.E. (ed.). CRC Handbook of Food Additives. 2nd ed. Cleveland: The Chemical Rubber Co., 1972., p. 138
Propionic acid has been qualitatively detected as a volatile component of baked potatoes(1) and cooked meats(2). Dalieb fruit (Borassus aethiopum l.) contained propionic acid at an average concn of 84 mg/kg(3). Propionic acid was detected in German fruit brandies and desert wines at concns of 0.2 and 1.1 mg/L, respectively(4). It has also been identified in popcorn at a concn of 300 ug/kg(5). Propionic acid was identified, not quantified as a fruit volatile in head space analysis testing using strawberries(6). Propionic acid occurs in dairy products in small amounts(7). Propionic has been detected as a volatile component of two brands of commercial rice cakes at concentrations of 61 ppb and 60 ppb(8).
(1) Coleman EC et al; J Agric Food Chem 29: 42-8 (1981)
(2) Shibamoto T et al; J Agric Food Chem 29: 57-63 (1981)
(3) Harper DB et al: J Sci Food Agric 37: 685-8 (1986)
(4) Sponholz WR et al; Deutsche-Lebensmittel-Rundschau 85: 247-51 (1989)
(5) Buttery RG et al; J Agric Food Chem 45: 837-43 (1997)
(6) Dirinck P et al; pp. 381-400 in Analysis of Volatiles. Berlin, Walter Degruyter & Co (1984)
(7) O'Neil MJ, ed; The Merck Index. 13th ed. Whitehouse Station, NJ: Merck and Co., Inc. p. 1401 (2001)
(8) Buttery RG et al; J Agric Food Chem 47: 4353-6 (1999)
Propionic acid was identified as a flavor compound in Pine Sprout Tea samples that were prepared from the sprouts and needles of Korean red pine trees(1).
(1) Kim KY et al; J Agric Food Chem 48: 1269-72 (2000)

14.2.18 Fish / Seafood Concentrations

Two samples of mussels (Mytilus edulis) from the Oarai Coast, Japan contained propionic acid at concentrations of 2.73 and 0.50 ug/g(1).
(1) Yasuhara A, Morita M; Chemosphere 16: 2559-65 (1987)

14.2.19 Other Environmental Concentrations

Propionic acid is a major constituent (100-300 ug/cigarette) of the gas phase of the mainstream smoke of unfiltered cigarettes. /From table/
Rom, W.N. (ed.). Environmental and Occupational Medicine. 2nd ed. Boston, MA: Little, Brown and Company, 1992., p. 1212

14.2.20 Probable Routes of Human Exposure

NIOSH (NOES Survey 1981-1983) has statistically estimated that 31,092 workers (8,489 of these are female) are potentially exposed to propionic acid in the US(1). The NOES Survey does not include farm workers. Occupational exposure to propionic acid may occur through dermal contact or inhalation with this compound at workplaces where propionic acid is produced or used(SRC). Monitoring data indicate that the general population may be exposed to propionic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound(SRC).
(1) NIOSH; International Safety Cards. Propionic Acid. 79-09-4. Available at http//www.cdc.gov/niosh/ipcs/nicstart.html as of Apr 27, 2006.

15 Associated Disorders and Diseases

Disease
Colorectal cancer
References

PubMed: 7482520, 22148915, 19006102, 23940645, 24424155, 20156336, 19678709, 25105552, 21773981, 25037050, 27015276, 27107423, 27275383, 28587349

Silke Matysik, Caroline Ivanne Le Roy, Gerhard Liebisch, Sandrine Paule Claus. Metabolomics of fecal samples: A practical consideration. Trends in Food Science & Technology. Vol. 57, Part B, Nov. 2016, p.244-255: http://www.sciencedirect.com/science/article/pii/S0924224416301984

Disease
Irritable bowel syndrome
References
Disease
Methylmalonic acidemia
References
Disease
Propionic acidemia
References

PubMed: 19809936, 19551947, 2226555, 28853722

MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)

Disease
Rheumatoid arthritis
References

PubMed: 16277678, 10361015, 6589104, 15338487, 15249323

Tie-juan ShaoZhi-xing HeZhi-jun XieHai-chang LiMei-jiao WangCheng-ping Wen. Characterization of ankylosing spondylitis and rheumatoid arthritis using 1H NMR-based metabolomics of human fecal extracts. Metabolomics. April 2016, 12:70: https://link.springer.com/article/10.1007/s11306-016-1000-2

Disease
Eosinophilic esophagitis
References
Mordechai, Hien, and David S. Wishart
Disease
Pervasive developmental disorder not otherwise specified
References
PubMed: 24130822
Disease
Nonalcoholic fatty liver disease
References
PubMed: 23454028

16 Literature

16.1 Consolidated References

16.2 NLM Curated PubMed Citations

16.3 Springer Nature References

16.4 Thieme References

16.5 Wiley References

16.6 Nature Journal References

16.7 Chemical Co-Occurrences in Literature

16.8 Chemical-Gene Co-Occurrences in Literature

16.9 Chemical-Disease Co-Occurrences in Literature

17 Patents

17.1 Depositor-Supplied Patent Identifiers

17.2 WIPO PATENTSCOPE

17.3 Chemical Co-Occurrences in Patents

17.4 Chemical-Disease Co-Occurrences in Patents

17.5 Chemical-Gene Co-Occurrences in Patents

18 Interactions and Pathways

18.1 Protein Bound 3D Structures

18.1.1 Ligands from Protein Bound 3D Structures

PDBe Ligand Code
PDBe Structure Code
PDBe Conformer

18.2 Chemical-Target Interactions

18.3 Pathways

19 Biological Test Results

19.1 BioAssay Results

20 Taxonomy

WormJam Metabolites Local CSV for MetFrag | DOI:10.5281/zenodo.3403364
WormJam: A consensus C. elegans Metabolic Reconstruction and Metabolomics Community and Workshop Series, Worm, 6:2, e1373939, DOI:10.1080/21624054.2017.1373939
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
A metabolome atlas of the aging mouse brain. Nat Commun. 2021 Oct 15;12(1):6021. DOI:10.1038/s41467-021-26310-y. PMID:34654818; PMCID:PMC8519999.
The Metabolome Atlas of the Aging Mouse Brain: https://mouse.atlas.metabolomics.us
A metabolome atlas of the aging mouse brain. Nat Commun. 2021 Oct 15;12(1):6021. DOI:10.1038/s41467-021-26310-y. PMID:34654818; PMCID:PMC8519999.
The Metabolome Atlas of the Aging Mouse Brain: https://mouse.atlas.metabolomics.us

21 Classification

21.1 MeSH Tree

21.2 NCI Thesaurus Tree

21.3 ChEBI Ontology

21.4 LIPID MAPS Classification

21.5 KEGG: Metabolite

21.6 KEGG: Lipid

21.7 ChemIDplus

21.8 CAMEO Chemicals

21.9 IUPHAR / BPS Guide to PHARMACOLOGY Target Classification

21.10 ChEMBL Target Tree

21.11 UN GHS Classification

21.12 EPA CPDat Classification

21.13 NORMAN Suspect List Exchange Classification

21.14 EPA DSSTox Classification

21.15 Consumer Product Information Database Classification

21.16 EPA TSCA and CDR Classification

21.17 LOTUS Tree

21.18 EPA Substance Registry Services Tree

21.19 MolGenie Organic Chemistry Ontology

22 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
  2. CAMEO Chemicals
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    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
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    https://creativecommons.org/licenses/by-nc/4.0/
  4. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  5. DrugBank
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  7. EPA Chemicals under the TSCA
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    https://www.epa.gov/tsca-inventory
  8. EPA DSSTox
    CompTox Chemicals Dashboard Chemical Lists
    https://comptox.epa.gov/dashboard/chemical-lists/
  9. European Chemicals Agency (ECHA)
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  10. FDA Global Substance Registration System (GSRS)
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    https://www.fda.gov/about-fda/about-website/website-policies#linking
  11. Hazardous Substances Data Bank (HSDB)
  12. Human Metabolome Database (HMDB)
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    http://www.hmdb.ca/citing
  13. ILO-WHO International Chemical Safety Cards (ICSCs)
  14. International Fragrance Association (IFRA)
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    https://ifrafragrance.org/links/copyright
  15. New Zealand Environmental Protection Authority (EPA)
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  16. NJDOH RTK Hazardous Substance List
  17. Occupational Safety and Health Administration (OSHA)
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  18. Risk Assessment Information System (RAIS)
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    https://rais.ornl.gov/
  19. The National Institute for Occupational Safety and Health (NIOSH)
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    https://www.cdc.gov/Other/disclaimer.html
  20. EU Food Improvement Agents
  21. EU Pesticides Database
  22. Emergency Response Guidebook (ERG)
  23. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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    https://haz-map.com/About
  24. Joint FAO/WHO Expert Committee on Food Additives (JECFA)
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  26. E. coli Metabolome Database (ECMDB)
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  27. LOTUS - the natural products occurrence database
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    https://lotus.nprod.net/
  28. Open Targets
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    https://platform-docs.opentargets.org/licence
  29. Toxin and Toxin Target Database (T3DB)
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    http://www.t3db.ca/downloads
  30. Yeast Metabolome Database (YMDB)
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    http://www.ymdb.ca/downloads
  31. ChEMBL
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    http://www.ebi.ac.uk/Information/termsofuse.html
  32. IUPAC Digitized pKa Dataset
  33. ClinicalTrials.gov
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    https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
  34. Comparative Toxicogenomics Database (CTD)
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    http://ctdbase.org/about/legal.jsp
  35. Drug Gene Interaction database (DGIdb)
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    http://www.dgidb.org/downloads
  36. IUPHAR/BPS Guide to PHARMACOLOGY
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    https://www.guidetopharmacology.org/about.jsp#license
    Guide to Pharmacology Target Classification
    https://www.guidetopharmacology.org/targets.jsp
  37. Therapeutic Target Database (TTD)
  38. Consumer Product Information Database (CPID)
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    https://www.whatsinproducts.com/contents/view/1/6
    Consumer Products Category Classification
    https://www.whatsinproducts.com/
  39. Crystallography Open Database (COD)
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    https://creativecommons.org/publicdomain/zero/1.0/
  40. ECI Group, LCSB, University of Luxembourg
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    Data: CC-BY 4.0; Code: Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    propionic acid
  41. KNApSAcK Species-Metabolite Database
  42. Natural Product Activity and Species Source (NPASS)
  43. West Coast Metabolomics Center-UC Davis
    Propionic acid isomer A
  44. EPA Chemical and Products Database (CPDat)
  45. EPA Pesticide Ecotoxicity Database
  46. NORMAN Suspect List Exchange
    LICENSE
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    https://creativecommons.org/licenses/by/4.0/
    Propionic Acid
    NORMAN Suspect List Exchange Classification
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  47. Hazardous Chemical Information System (HCIS), Safe Work Australia
  48. NITE-CMC
    Propionic acid - FY2009 (Revised classification)
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    Propionic acid - FY2006 (New/original classication)
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    Propionic acid - FY2014 (Revised classification)
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  49. Regulation (EC) No 1272/2008 of the European Parliament and of the Council
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    https://eur-lex.europa.eu/content/legal-notice/legal-notice.html
  50. FDA Substances Added to Food
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    https://www.fda.gov/about-fda/about-website/website-policies#linking
  51. Flavor and Extract Manufacturers Association (FEMA)
  52. FooDB
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    https://foodb.ca/about
  53. NMRShiftDB
  54. MassBank Europe
  55. MassBank of North America (MoNA)
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    https://mona.fiehnlab.ucdavis.edu/documentation/license
  56. NIST Mass Spectrometry Data Center
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    https://www.nist.gov/srd/public-law
  57. SpectraBase
  58. Japan Chemical Substance Dictionary (Nikkaji)
  59. KEGG
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    https://www.kegg.jp/kegg/legal.html
  60. LIPID MAPS
    Lipid Classification
    https://www.lipidmaps.org/
  61. MarkerDB
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  62. Metabolomics Workbench
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  65. NCI Thesaurus (NCIt)
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    https://www.cancer.gov/policies/copyright-reuse
  66. NLM RxNorm Terminology
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    https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.html
  67. Protein Data Bank in Europe (PDBe)
  68. RCSB Protein Data Bank (RCSB PDB)
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  69. Springer Nature
  70. SpringerMaterials
  71. Thieme Chemistry
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  72. Wikidata
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  74. Wiley
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  76. Medical Subject Headings (MeSH)
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  77. GHS Classification (UNECE)
  78. EPA Substance Registry Services
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  80. PATENTSCOPE (WIPO)
CONTENTS