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CHEBI:77700 - methyl acetate

ChEBI IDCHEBI:77700
ChEBI Namemethyl acetate
Stars
DefinitionAn acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 °C) colourless, flammable liquid, it is used as a solvent for many resins and oils.
Last Modified15 December 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC3H6O2
Net Charge0
Average Mass74.079
Monoisotopic Mass74.03678
SMILESCOC(C)=O
InChIInChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChIKeyKXKVLQRXCPHEJC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
Biological Role:
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor  An EC 3.4.19.* (omega-peptidase) inhibitor that interferes with the action of pyroglutamyl-peptidase I (EC 3.4.19.3).
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
ChEBI Ontology
Outgoing Relation(s)
methyl acetate (CHEBI:77700) has role EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor (CHEBI:77706)
methyl acetate (CHEBI:77700) has role fragrance (CHEBI:48318)
methyl acetate (CHEBI:77700) has role polar aprotic solvent (CHEBI:48358)
methyl acetate (CHEBI:77700) is a acetate ester (CHEBI:47622)
methyl acetate (CHEBI:77700) is a methyl ester (CHEBI:25248)
methyl acetate (CHEBI:77700) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
methyl acetate
Synonyms  Source
acetate de methyleChemIDplus
acetic acid methyl esterChemIDplus
AcOMeChEBI
CH3COOCH3ChEBI
CH3CO2CH3ChEBI
DevotonKEGG COMPOUND
UniProt Name  Source
methyl acetateUniProt
Manual XrefsDatabases
C17530KEGG COMPOUND
HMDB0031523HMDB
Methyl_acetateWikipedia
METHYL-ACETATEMetaCyc
Registry NumbersSources
Reaxys:1736662Reaxys
CAS:79-20-9ChemIDplus
CAS:79-20-9NIST Chemistry WebBook
CAS:79-20-9KEGG COMPOUND
Citations