Results for:
PubChem ID: 6584

Methyl Acetate

Mass-Spectra

Compound Details

Synonymous names
METHYL ACETATE
79-20-9
Methyl ethanoate
Tereton
Acetic acid, methyl ester
Devoton
Acetic acid methyl ester
Methylacetat
Acetate de methyle
Methylacetaat
Methyl acetic ester
Octan metylu
Metile (acetato di)
Methyle (acetate de)
Methylester kiseliny octove
Ethyl ester of monoacetic acid
HSDB 95
Methylacetat [German]
FEMA No. 2676
CH3COOCH3
MeOAc
Methyl ester of acetic acid
NSC 405071
METHYL-ACETATE
ACETIC ACID,METHYL ESTER
DTXSID4021767
CHEBI:77700
W684QT396F
NSC-405071
Methylacetat (german)
NCGC00090940-01
Acetic acid-methyl ester
DTXCID101767
Methylacetaat [Dutch]
Octan metylu [Polish]
FEMA Number 2676
Methyl acetate (natural)
CAS-79-20-9
Methyl Acetate; Acetic acid methyl ester
Acetate de methyle [French]
CCRIS 5846
Methyle (acetate de) [French]
Metile (acetato di) [Italian]
Methylester kiseliny octove [Czech]
EINECS 201-185-2
UN1231
Metile
METHYL ACETATE, 97%
UNII-W684QT396F
AcOMe
1-Methyl acetate
CH3COOMe
Methyl acetate [UN1231] [Flammable liquid]
CH3CO2CH3
EC 201-185-2
METHYL ACETATE [MI]
METHYL ACETATE [FCC]
WLN: 1VO1
CHEMBL14079
METHYL ACETATE [FHFI]
METHYL ACETATE [HSDB]
METHYL ACETATE [INCI]
Methyl acetate, >=98%, FG
METHYL ACETATE [USP-RS]
FEMA 2676
Methyl acetate, analytical standard
Methyl acetate, anhydrous, 99.5%
Methyl acetate, natural, 98%, FG
Tox21_113243
Tox21_200057
Methyl acetate, reagent grade, 95%
MFCD00008711
NSC405071
STL281977
AKOS000120042
MCULE-7368066093
Methyl acetate, ReagentPlus(R), 99%
UN 1231
Methyl acetate, for HPLC, >=99.8%
NCGC00090940-02
NCGC00257611-01
DB-255268
NS00003464
S0300
EN300-15476
Methyl acetate, SAJ first grade, >=99.0%
C17530
Methyl acetate [UN1231] [Flammable liquid]
Methyl acetate, JIS special grade, >=99.5%
for HPLC, inverted exclamation markY99.5%(GC)
InChI=1/C3H6O2/c1-3(4)5-2/h1-2H
A839618
Q414189
J-522583
Acetic acid-methyl ester 1000 microg/mL in Methanol
Methyl acetate, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC namemethyl acetate
SMILESCC(=O)OC
InchiInChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
FormulaC3H6O2
PubChem ID6584
Molweight74.08
LogP0.2
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters
CHEBI-ID77700
Supernatural-IDSN0198028

mVOC Specific Details

Boiling Point
DegreeReference
56.7 °C peer reviewed
Volatilization
The Henry's Law constant for methyl acetate is 1.15X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl acetate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Methyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl acetate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 216.2 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 13: 795-802 (1981)
Soil Adsorption
The Koc of methyl acetate is estimated as 9.1(SRC), using a log Kow of 0.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl acetate is expected to have very high mobility in soil(SRC).
Literature: (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. nn (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Sept 22, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
216.2 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 13: 795-802 (1981)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
Saccharomyces CerevisiaeQin et al. 2024
Lentinula EdodesGeng et al. 2024
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaPenicillium CommuneMEAGC/MSno
EukaryotaPaecilomyces VariotiiMEAGC/MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno
Lactobacillus PlantarumHabanero pepperGC–IMSno