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Methyl Lactate

PubChem CID
11040
Structure
Methyl Lactate_small.png
Methyl Lactate_3D_Structure.png
Molecular Formula
Synonyms
  • METHYL LACTATE
  • 547-64-8
  • Methyl DL-lactate
  • Methyl 2-hydroxypropanoate
  • DL-Methyl lactate
Molecular Weight
104.10 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-03-26
  • Modify:
    2025-01-25
Description
Methyl 2-hydroxypropionate is a lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. It has a role as a metabolite. It is a lactate ester and a methyl ester.
See also: Methyl (R)-lactate (annotation moved to).

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Methyl Lactate.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-hydroxypropanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

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

2.1.4 SMILES

CC(C(=O)OC)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C4H8O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

2155-30-8

2.3.2 Deprecated CAS

2155-30-8
41083-23-2

2.3.3 European Community (EC) Number

2.3.4 UNII

2.3.5 ChEBI ID

2.3.6 ChEMBL ID

2.3.7 DSSTox Substance ID

2.3.8 HMDB ID

2.3.9 Metabolomics Workbench ID

2.3.10 Nikkaji Number

2.3.11 NSC Number

2.3.12 Wikidata

2.3.13 Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • methyl 2-hydroxypropionate
  • methyl lactate
  • methyl lactate, (+)-isomer
  • methyl lactate, (+-)-isomer
  • methyl lactate, (S)-isomer

2.4.2 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
104.10 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-0.1
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
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
104.047344113 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
104.047344113 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
69.3
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
1
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

Colorless liquid; [Hawley]

3.2.2 Color / Form

Colorless, transparent liquid
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130

3.2.3 Boiling Point

144-145 °C
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130

3.2.4 Melting Point

Freezing Point: approximately -66 °C
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 833

3.2.5 Flash Point

51 °C (124 °F) - closed cup
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
121 °F (49 °C) (closed cup)
National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-86

3.2.6 Solubility

Miscible in water with decomposition
Dean JA; Lange's Handbook of Chemistry 13th ed NY: McGraw-Hill p. 7-517 (1985)
Soluble in alcohol, ether
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130
Miscible with most organic solvents
Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 571

3.2.7 Density

1.09 at 19 °C
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130
/Bulk density/ (wt/gal)= 9 LB @ 68 °F
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 833

3.2.8 Vapor Density

3.6 (Air = 1)
Fire Protection Guide to Hazardous Materials. 12 ed. Quincy, MA: National Fire Protection Association, 1997., p. 325-70

3.2.9 Vapor Pressure

1.85 [mmHg]
3.5 mm Hg at 25 °C
Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1997)

3.2.10 Stability / Shelf Life

Stable under recommended storage conditions.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

3.2.11 Autoignition Temperature

725 °F (385 °C)
National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-86

3.2.12 Decomposition

When heated to decomposition it emits acrid smoke and irritating vapors.
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 2463

3.2.13 Viscosity

2.94 cP at 20 °C
Coleman KP, Toscano WA; Esters of Mono- and Alkenyl Carboxylic Acids and Mono- and Polyalcohols. Patty's Toxicology. 6th ed. (1999-2016). New York, NY: John Wiley & Sons, Inc. On-line Posting Date: 17 Aug 2012

3.2.14 Heat of Vaporization

Enthalpy of vaporization: 44.7 kJ/mol (313-418 deg K)
NIST; NIST Chemistry WebBook. Methyl 2-hydroxypropanoate (547-64-8). NIST Standard Reference Database No. 69, Sept 2013 Release. Washington, DC: US Sec Commerce. Available from, as of March 21, 2016: https://webbook.nist.gov

3.2.15 Refractive Index

Index of refraction: 1.4156 at 16 °C/D
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130

3.2.16 Kovats Retention Index

Standard non-polar
713 , 714
Semi-standard non-polar
754 , 748
Standard polar
1309 , 1314 , 1328 , 1331 , 1335 , 1335

3.2.17 Other Experimental Properties

Wt/vol conversion: 4.25 mg/cu m is equivalent to 1 ppm
Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2305
Oil. BP: 144.8 °C. Density: 1.0928 g/cu cm at 20 °C. Index of refraction: 1.4141 at 20 °C/D. Very soluble in water, ethyl ether, ethanol/(+/-)-Methyl lactate/
Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-378
Soluble in water, alcohol, ether; Specific optical rotation: +7.46 deg at 20 °C/D; BP: 40 °C at 13 mm Hg; Density 1.0857 at 25 °C/4 °C /Methyl d-lactate/
Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-304
Soluble in water, alcohol, ether; Specific optical rotation: -8.3 deg at 20 °C/D; BP 58 °C at 19 mm Hg; Density 1.0895 at 20 °C/4 °C; Index of refraction: 1.4139 at 20 °C/D /Methyl L-lactate/
Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-304
Henry's Law constant = 4.8X10-7 atm-cu m/mol at 25 °C /estimated from vapor pressure and water solubility/
US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
Hydroxyl radical reaction rate constant = 2.80X10-12 cu cm/molecule-sec at 25 °C
Kwok ESC et al; Environ Sci Technol 30: 329-34 (1996)

3.3 Chemical Classes

3.3.1 Cosmetics

Cosmetic ingredients (Methyl Lactate) -> CIR (Cosmetic Ingredient Review)

3.3.2 Solvents

Solvents -> Esters (<C12)

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 1H NMR Spectra

Instrument Name
Varian A-60D
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.1.2 13C NMR Spectra

1 of 2
Source of Sample
Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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2 of 2
Instrument Name
AM-360
Copyright
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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4.2 Mass Spectrometry

4.2.1 GC-MS

1 of 8
View All
MoNA ID
MS Category
Experimental
MS Type
GC-MS
MS Level
MS1
Instrument
HITACHI M-80A
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

45 99.99

33 17.18

29 14.42

43 13.78

15 11.73

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License
CC BY-NC-SA
2 of 8
View All
MoNA ID
MS Category
Experimental
MS Type
GC-MS
MS Level
MS1
Instrument
HITACHI RMU-6M
Instrument Type
EI-B
Ionization Mode
positive
Top 5 Peaks

45 99.99

43 9

29 7.80

15 7.20

27 7

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License
CC BY-NC-SA

4.2.2 Other MS

1 of 5
View All
Authors
HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
Instrument
HITACHI M-80
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 20 eV
Top 5 Peaks

45 999

104 105

61 89

33 66

89 43

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License
CC BY-NC-SA
2 of 5
View All
Authors
SODA AROMATIC CO., LTD.
Instrument
HITACHI M-80B
Instrument Type
EI-B
MS Level
MS
Ionization Mode
POSITIVE
Ionization
ENERGY 70 eV
Top 5 Peaks

45 999

33 149

43 143

29 136

15 96

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License
CC BY-NC-SA

4.3 IR Spectra

4.3.1 FTIR Spectra

Technique
CAPILLARY CELL: NEAT
Source of Sample
Musashino Shoji Company, Ltd., Tokyo, Japan
Copyright
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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4.3.2 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
Source of Spectrum
Sigma-Aldrich Co. LLC.
Source of Sample
Sigma-Aldrich Co. LLC.
Catalog Number
230340
Copyright
Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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4.4 Other Spectra

SADTLER REF NUMBER: 24952 (IR, PRISM)
Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-456

6 Chemical Vendors

7 Pharmacology and Biochemistry

7.1 Absorption, Distribution and Excretion

Since hydrolysis of lactate esters is fairly rapid, elimination pathways are probably the same as those for lactic acid and alcohol. /Lactic esters/
Scientific Basis for Swedish Occupational Standards. Consensus Report for Some Lactate Esters p. 75 (June, 1999)

7.2 Metabolism / Metabolites

Hydrolysis of lactate esters to lactic acid and alcohol has been reported to occur after both skin application and oral administration. Lactic acid is a naturally occurring metabolite, and its toxicity is mostly a result of its acidity. /Lactate esters/
Scientific Basis for Swedish Occupational Standards. Consensus Report for Some Lactate Esters p. 75 (June, 1999)

8 Use and Manufacturing

8.1 Uses

Cosmetic Ingredient Review Link
CIR ingredient: Methyl Lactate
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 solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers, and stains; Also used to make acetyl, amide, and higher ester derivatives and carbetamide (herbicide); [HSDB]
Industrial Processes with risk of exposure
Painting (Solvents) [Category: Paint]
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130
Solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers, stains.
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 833
CHEM INT, EG, FOR ACETYL, AMIDE & HIGHER ESTER DERIVS
SRI
CHEM INT FOR CARBETAMIDE (HERBICIDE FOR VARIOUS GRASSES)
SRI
CAPTIVE CHEM INT FOR LACTIC ACID PURIFICATION
SRI

8.2 Methods of Manufacturing

Prepared by heating 1 mole lactic acid condensation polymer with 2.5 to 5 moles of methanol and a small quantity of H2SO4 at 100 °C for 1-4 hours in a heavy walled bottle.
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1130

8.3 U.S. Production

(1977) AT LEAST 4.54X10+9 G (CAPTIVE PRODN)
SRI
(1981) NO EVIDENCE OF PRODN FOR SALE IN USA
SRI

8.4 General Manufacturing Information

EPA TSCA Commercial Activity Status
Propanoic acid, 2-hydroxy-, methyl ester: ACTIVE

9 Safety and Hazards

9.1 Hazards Identification

9.1.1 GHS Classification

1 of 8
View All
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, 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 1639 reports by companies from 12 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.

9.1.2 Hazard Classes and Categories

Flam. Liq. 3 (100%)

Eye Irrit. 2A (100%)

STOT SE 3 (100%)

Flam. Liq. 3 (100%)

Eye Irrit. 2 (100%)

STOT SE 3 (100%)

9.1.3 NFPA Hazard Classification

NFPA 704 Diamond
1-2-0
NFPA Health Rating
1 - Materials that, under emergency conditions, can cause significant irritation.
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.

9.1.4 Hazards Summary

Decomposed by water; [Hawley] Mildly irritating; [HSDB] An eye and respiratory tract irritant; [eChemPortal: ESIS]; See ORGANIC SOLVENTS.
Hawley - Lewis RJ. _Hawley's Condensed Chemical Dictionary, _15th Ed. New York: John Wiley & Sons, 2007.

9.1.5 Fire Potential

Moderate fire risk.
Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 833

9.1.6 Skin, Eye, and Respiratory Irritations

Methyl Lactate was not irritating to guinea pig eyes.
Cosmetic Ingredient Review Expert Panel; International Journal of Toxicology 17(Suppl. 1): 1-241 (1998)
/Methyl lactate/ dropped into the eyes of rabbits ... was classified as non-irritating.
Scientific Basis for Swedish Occupational Standards. Consensus Report for Some Lactate Esters, p. 75 (June, 1999)

9.2 Safety and Hazard Properties

9.2.1 Flammable Limits

Lower flammable limit: : 2.2% by vol @ 212 °F (100 °C)
National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-86

9.3 Fire Fighting

9.3.1 Fire Fighting Procedures

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Use water spray to cool unopened containers.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT get water inside containers. Do NOT use straight streams of water.
GuideChem Safety Data Sheet: Propanoic acid,2-hydroxy-, methyl ester. Available from, as of August 12, 2016: https://www.guidechem.com/

9.3.2 Firefighting Hazards

Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. ... Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
GuideChem Safety Data Sheet: Propanoic acid,2-hydroxy-, methyl ester. Available from, as of August 12, 2016: https://www.guidechem.com/

9.4 Accidental Release Measures

9.4.1 Cleanup Methods

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains; Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.4.2 Disposal Methods

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material; Contaminated packaging: Dispose of as unused product.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.4.3 Preventive Measures

Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.5 Handling and Storage

9.5.1 Storage Conditions

Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Moisture sensitive.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.6 Exposure Control and Personal Protection

9.6.1 Personal Protective Equipment (PPE)

Eye/face protection: Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Skin protection: Handle with gloves.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Body Protection: Impervious clothing. Flame retardant antistatic protective clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html
Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.7 Stability and Reactivity

9.7.1 Hazardous Reactivities and Incompatibilities

Incompatible materials: Oxidizing agents, acids, Bases
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

9.8 Regulatory Information

New Zealand EPA Inventory of Chemical Status
Methyl lactate: Does not have an individual approval but may be used under an appropriate group standard

9.9 Other Safety Information

9.9.1 Toxic Combustion Products

Special hazards arising from the substance or mixture: Carbon oxides
Sigma-Aldrich; Safety Data Sheet for Methyl DL-lactate. Product Number: 69822, Version 3.5 (Revision Date 06/25/2014). Available from, as of January 29, 2016: https://www.sigmaaldrich.com/safety-center.html

10 Toxicity

10.1 Toxicological Information

10.1.1 Toxicity Summary

IDENTIFICATION AND USE: Methyl lactate is a colorless, transparent liquid. It is used as a solvent. HUMAN EXPOSURE AND TOXICITY: There is no data. ANIMAL STUDIES: Methyl Lactate was not irritating to guinea pig and rabbit eyes. The estimated average lethal dose for the female rat following ip injection of laboratory grade methyl lactate was >2000 mg/kg. Observations included narcosis, respiratory distress, and peritoneal adhesions. Hydrolysis of lactate esters to lactic acid and alcohol has been reported to occur after both skin application and oral administration. Lactic acid is a naturally occurring metabolite, and its toxicity is mostly a result of its acidity.

10.1.2 Adverse Effects

Neurotoxin - Acute solvent syndrome

10.1.3 Acute Effects

10.1.4 Toxicity Data

LC50 (rat) > 5,000 mg/m3/4h

10.1.5 Antidote and Emergency Treatment

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 160
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. 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 ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/
Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 160
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 160-1

10.1.6 Non-Human Toxicity Excerpts

/LABORATORY ANIMALS: Acute Exposure/ Methyl Lactate was not irritating to guinea pig eyes.
Cosmetic Ingredient Review Expert Panel; International Journal of Toxicology 17(Suppl. 1): 1-241 (1998)
/LABORATORY ANIMALS: Acute Exposure/ Methyl Lactate. The estimated average lethal dose for the female rat (either albino, Wistar, or Glaxo-Wistar) following IP injection of laboratory grade Methyl Lactate was >2000 mg/kg. Observations included /CNS depression/, respiratory distress, and peritoneal adhesions. The estimated maximum nontoxic dose and estimated maximum dose without gross lesions at necropsy was 500 mg/kg.
Cosmetic Ingredient Review Expert Panel; International Journal of Toxicology 17(Suppl. 1):1-241 (1998)
/LABORATORY ANIMALS: Acute Exposure/ Lactate esters dropped into the eyes of rabbits caused eye irritation. Tested esters that yielded a positive response were ethyl, n-propyl, n-butyl, lauryl, and myristyl lactate. Methyl lactate, however, was classified as non-irritating.
Scientific Basis for Swedish Occupational Standards. Consensus Report for Some Lactate Esters, p. 75 (June, 1999)

10.1.7 Ongoing Test Status

EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPA; ICSS Dashboard Application; Available from, as of December 17, 2015: http://actor.epa.gov/dashboard/]

10.2 Ecological Information

10.2.1 Ecotoxicity Values

EC50; Species: Daphnia magna (Water flea); Conditions: freshwater, static; Concentration: 780000 ug/L for 48 hr (95% confidence interval: 689000-882000 ug/L); Effect: intoxication, decreased mobility /97% purity/
Bowmer CT et al; Chemosphere 37 (7): 1317-1333 (1998) as cited in the ECOTOX database. Available from, as of February 15, 2016

10.2.2 Environmental Fate / Exposure Summary

Methyl lactate's production and use as a solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers and stains as well as an ingredient in some cosmetics may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 3.5 mm Hg at 25 °C indicates methyl lactate will exist solely as a vapor in the atmosphere. Vapor-phase methyl lactate 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 6 days. Methyl lactate does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. If released to soil, methyl lactate is expected to have very high mobility based upon an estimated Koc of 1. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 4.8X10-7 atm-cu m/mole. Methyl lactate is expected to volatilize from dry soil surfaces based upon its vapor pressure. Utilizing the OECD 301D closed-bottle test, 76% of the Theoretical BOD was reached in 28 days indicating that biodegradation is an important environmental fate process in soil and water. Hydrolysis may be an important fate process in moist alkaline soils and water. If released into water, methyl lactate is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Methyl lactate and the lactate ester compounds are considered to be readily biodegradable. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. The base-catalyzed hydrolysis half-lives are estimated to be 68, 6.8 and 0.68 days at pH values of 7, 8 and 9, respectively. Occupational exposure to methyl lactate may occur through inhalation and dermal contact with this compound at workplaces where methyl lactate is produced or used. Use data indicate that the general population may be exposed to methyl lactate via inhalation and dermal contact with consumer products containing methyl lactate. (SRC)

10.2.3 Artificial Pollution Sources

Methyl lactate's production and use as a solvent for cellulose acetate, nitrocellulose, cellulose acetobutyrate, cellulose acetopropionate, lacquers and stains(1) as well as an ingredient in some cosmetics(2) and development as a possible "green" solvent(3) may result in its release to the environment through various waste streams(SRC).
(1) Lewis RJ Sr; Hawley's Condensed Chemical Dictionary. 15th ed., New York, NY: John Wiley & Sons, Inc., p. 833 (2007)
(2) Personal Care Products Council. Cosmetics Info. Methyl lactate. Avaialble from as of Mar 21, 2016: https://www.cosmeticsinfo.org/ingredient/methyl-lactate
(3) Lomba L et al; Green Solvents from Biomass: Lactate Family. 10th Green Chemistry Conference. An International Event. Barcelona, Spain (2013). Available from, as of March 24, 2016: https://www.iuct.net/files/pdf/Lomba.pdf

10.2.4 Environmental Fate

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that methyl lactate is expected to have very high mobility in soil(SRC). Volatilization of methyl lactate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 3.5 mm Hg(3), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(4). Methyl lactate is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A 76% of theoretical BOD using activated sludge in a 28-day OECD 301D closed-bottle test indicates methyl lactate is readily biodegradable(5) and suggests that biodegradation is an important environmental fate process in soil(SRC). The lactate ester group of compounds are generally considered to be readily biodegradable(5,6). Hydrolysis may be an important fate process in moist alkaline soils(SRC). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2); this corresponds to half-lives of 68, 6.8 and 0.68 days at pH values of 7, 8 and 9, respectively(SRC).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
(3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1997)
(4) Dean JA; Lange's Handbook of Chemistry. 13th ed., New York, NY: McGraw-Hill p. 7-517 (1985)
(5) Bowmer CT et al; Chemosphere 37: 1317-33 (1998)
(6) Aparico S; J Phys Chem A 111: 4671-83 (2007). Available from, as of Mar 21, 2016: https://pubs.acs.org/doi/abs/10.1021/jp070841t
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that methyl lactate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.8X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 3.5 mm Hg(4), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of -0.67(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 76% of theoretical BOD using activated sludge in a 28-day OECD 301D closed-bottle test indicates methyl lactate acid is readily biodegradable(7) and suggests that biodegradation is an important environmental fate process in water(SRC). The lactate ester group of compounds are generally considered to be readily biodegradable(7,8). Hydrolysis may be an important fate process in alkaline waters(SRC). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2); this corresponds to half-lives of 68, 6.8 and 0.68 days at pH values of 7, 8 and 9, respectively(SRC).
(1) Swann RL et al; Res Rev 85: 17-28 (1983)
(2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
(4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1997)
(5) Dean JA; Lange's Handbook of Chemistry. 13th ed., New York, NY: McGraw-Hill p. 7-517 (1985)
(6) Franke C et al; Chemosphere 29: 1501-14 (1994)
(7) Bowmer CT et al; Chemosphere 37: 1317-1333 (1998)
(8) Aparico S; J Phys Chem A 111: 4671-4683 (2007). Available from, as of Mar 21, 2016: https://pubs.acs.org/doi/abs/10.1021/jp070841t
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl lactate, which has a vapor pressure of 3.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl lactate 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 6 days(SRC), calculated from its rate constant of 2.8X10-12 cu cm/molecule-sec at 25 °C(3). Methyl lactate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988)
(2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp, (1997)
(3) Kwok ESC et al; Environ Sci Technol 30: 329-34 (1996)
(4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990)

10.2.5 Environmental Biodegradation

AEROBIC: Methyl lactate, present at 2.04 mg/L, reached 76% of its theoretical BOD in 28 days using an activated sludge inoculum in the OECD 301D Method (Closed Bottle Test) which classified the compound as readily biodegradable(1). The similar compound ethyl lactate was found to be readily biodegradable using the Japanese MITI test(2). The lactate ester group of compounds are generally considered to be readily biodegradable(1,3).
(1) Bowmer CT et al; Chemosphere 37: 1317-33 (1998)
(2) NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Tokyo, Japan: Natl Inst Tech Eval. Available from, as of Mar 21, 2016: https://www.safe.nite.go.jp/english/db.html
(3) Aparico S; J Phys Chem A 111: 4671-83 (2007). Available from, as of Mar 21, 2016: https://pubs.acs.org/doi/abs/10.1021/jp070841t

10.2.6 Environmental Abiotic Degradation

The rate constant for the vapor-phase reaction of methyl lactate with photochemically-produced hydroxyl radicals has been measured as 2.8X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). Methyl lactate is reported to be miscible in water with decomposition(3). A base-catalyzed second-order hydrolysis rate constant of 1.18 L/mole-sec(SRC) was estimated using a structure estimation method for 25 °C(2); this corresponds to half-lives of 68 and 6.8 days at pH values of 7 and 8, respectively(2). Methyl lactate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
(1) Kwok ESC et al; Environ Sci Technol 30: 329-34 (1996)
(2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
(3) Dean JA; Lange's Handbook of Chemistry. 13th ed., New York, NY: McGraw-Hill p. 7-517 (1985)
(4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990)

10.2.7 Environmental Bioconcentration

An estimated BCF of 3 was calculated in fish for methyl lactate(SRC), using an estimated log Kow of -0.67(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
(2) Franke C et al; Chemosphere 29: 1501-14 (1994)

10.2.8 Soil Adsorption / Mobility

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl lactate can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl lactate is expected to have very high mobility in soil.
(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Mar 21, 2016: https://www2.epa.gov/tsca-screening-tools/
(2) Swann RL et al; Res Rev 85: 17-28 (1983)

10.2.9 Volatilization from Water / Soil

The Henry's Law constant for methyl lactate is estimated as 4.8X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 3.5 mm Hg(1), and an assigned value for water solubility of 1.00X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that methyl lactate is expected to be essentially nonvolatile from water surfaces(3). Methyl lactate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Methyl lactate is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
(1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1997)
(2) Dean JA; Lange's Handbook of Chemistry. 13th ed., New York: NY: McGraw-Hill p. 7-517 (1985)
(3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

10.2.10 Probable Routes of Human Exposure

Occupational exposure to methyl lactate may occur through inhalation and dermal contact with this compound at workplaces where methyl lactate is produced or used. Use data indicate that the general population may be exposed to methyl lactate via inhalation and dermal contact with consumer products containing methyl lactate. (SRC)

11 Associated Disorders and Diseases

Associated Occupational Diseases with Exposure to the Compound

Encephalopathy, chronic solvent [Category: Chronic Poisoning]

Solvents, acute toxic effect [Category: Acute Poisoning]

12 Literature

12.1 Consolidated References

12.2 NLM Curated PubMed Citations

12.3 Springer Nature References

12.4 Thieme References

12.5 Wiley References

12.6 Chemical Co-Occurrences in Literature

12.7 Chemical-Gene Co-Occurrences in Literature

12.8 Chemical-Disease Co-Occurrences in Literature

13 Patents

13.1 Depositor-Supplied Patent Identifiers

13.2 WIPO PATENTSCOPE

13.3 Chemical Co-Occurrences in Patents

13.4 Chemical-Disease Co-Occurrences in Patents

13.5 Chemical-Gene Co-Occurrences in Patents

14 Biological Test Results

14.1 BioAssay Results

15 Taxonomy

16 Classification

16.1 MeSH Tree

16.2 ChEBI Ontology

16.3 ChemIDplus

16.4 UN GHS Classification

16.5 EPA CPDat Classification

16.6 NORMAN Suspect List Exchange Classification

16.7 EPA DSSTox Classification

16.8 EPA TSCA and CDR Classification

16.9 EPA Substance Registry Services Tree

16.10 MolGenie Organic Chemistry Ontology

17 Information Sources

  1. CAS Common Chemistry
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    https://www.epa.gov/tsca-inventory
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    http://www.ebi.ac.uk/Information/termsofuse.html
  12. Cosmetic Ingredient Review (CIR)
  13. EPA Chemical and Products Database (CPDat)
  14. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
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    https://haz-map.com/About
  15. Hazardous Chemical Information System (HCIS), Safe Work Australia
  16. NITE-CMC
    Methyl lactate - FY2010 (New/original classication)
    https://www.chem-info.nite.go.jp/chem/english/ghs/10-mhlw-0150e.html
  17. Regulation (EC) No 1272/2008 of the European Parliament and of the Council
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    http://www.hmdb.ca/citing
  19. Japan Chemical Substance Dictionary (Nikkaji)
  20. MassBank Europe
  21. MassBank of North America (MoNA)
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    https://mona.fiehnlab.ucdavis.edu/documentation/license
  22. NIST Mass Spectrometry Data Center
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    Data covered by the Standard Reference Data Act of 1968 as amended.
    https://www.nist.gov/srd/public-law
    Propanoic acid, 2-hydroxy-, methyl ester, (.+/-.)-
    http://www.nist.gov/srd/nist1a.cfm
  23. SpectraBase
    Propanoic acid, 2-hydroxy-, methyl ester
    https://spectrabase.com/spectrum/6ubaBRbFDXS
    PROPANOIC ACID, 2-HYDROXY-, METHYL ESTER
    https://spectrabase.com/spectrum/8fiOez41xRT
  24. Metabolomics Workbench
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  26. Springer Nature
  27. Thieme Chemistry
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    https://creativecommons.org/licenses/by-nc-nd/4.0/
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  34. NORMAN Suspect List Exchange
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  35. EPA Substance Registry Services
  36. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  37. PATENTSCOPE (WIPO)
CONTENTS