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Substance Name: Methyl acetate
RN: 79-20-9
UNII: W684QT396F
InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N

Molecular Formula

  • C3-H6-O2

Molecular Weight

  • 74.0784
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (200 ppm); STEL (250 ppm)
  • TWA 200 ppm (610 mg/m3)
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Names and Synonyms

Name of Substance

  • Acetic acid, methyl ester
  • Methyl acetate

Synonyms

  • Acetate de methyle
  • Acetate de methyle [French]
  • Acetic acid, methyl ester
  • CCRIS 5846
  • Devoton
  • EC 201-185-2
  • EINECS 201-185-2
  • Ethyl ester of monoacetic acid
  • FEMA No. 2676
  • FEMA Number 2676
  • HSDB 95
  • Methyl acetate
  • Methyl acetate (natural)
  • Methyl acetic ester
  • Methyl ethanoate
  • Methylacetaat
  • Methylacetaat [Dutch]
  • Methylacetat
  • Methylacetat [German]
  • Methyle (acetate de)
  • Methyle (acetate de) [French]
  • Methylester kiseliny octove
  • Methylester kiseliny octove [Czech]
  • Metile (acetato di)
  • Metile (acetato di) [Italian]
  • NSC 405071
  • Octan metylu
  • Octan metylu [Polish]
  • Tereton
  • UNII-W684QT396F

Systematic Names

  • Acetic acid, methyl ester
  • Methyl acetate

Superlist Names

  • Acetic acid, methyl ester
  • Methyl acetate
  • Methyl acetate [UN1231] [Flammable liquid]
  • UN1231

Registry Numbers

CAS Registry Number

  • 79-20-9

FDA UNII

  • W684QT396F

Other Registry Number

  • 1800084-97-2

System Generated Number

  • 0000079209

Structure Descriptors

InChI

1S/C3H6O2/c1-3(4)5-2/h1-2H3

InChIKey

KXKVLQRXCPHEJC-UHFFFAOYSA-N

Smiles

C(OC)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 67gm/m3/1H (67000mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
cat LDLo subcutaneous 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
guinea pig LD50 skin > 20mL/kg (20mL/kg)   National Technical Information Service. Vol. OTS0556681,
guinea pig LDLo subcutaneous 3gm/kg (3000mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
human TCLo inhalation 15000mg/m3 (15000mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: COUGH
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
mammal (species unspecified) LD50 unreported 214mg/kg (214mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 33(8), Pg. 107, 1968.
mouse LCLo inhalation 34gm/m3/4H (34000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
rabbit LD50 intraduodenal 3700mg/kg (3700mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979.
rabbit LD50 oral 3705mg/kg (3705mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979.
rat LCLo inhalation 32000ppm/4H (32000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 859, 1979.
rat LDLo subcutaneous 8gm/kg (8000mg/kg)   Bolletino della Societe Italiana di Biologia Sperimentale. Vol. 18, Pg. 45, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.80E+01 deg C   EXP
Boiling Point 56.8 deg C   EXP
log P (octanol-water) 0.18 (none)   EXP
Water Solubility 2.43E+05 mg/L 20 EXP
Vapor Pressure 216 mm Hg 25 EXP
Henry's Law Constant 1.15E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.41E-13 cm3/molecule-sec 23 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.