CHEBI:77700 - methyl acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl acetate
ChEBI ID CHEBI:77700
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C3H6O2
Net Charge 0
Average Mass 74.07850
Monoisotopic Mass 74.037
InChI InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChIKey KXKVLQRXCPHEJC-UHFFFAOYSA-N
SMILES COC(C)=O
Roles Classification
Chemical Role(s): 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(s): 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).
Application(s): 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.
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
acetate de methyle ChemIDplus
acetic acid methyl ester ChemIDplus
AcOMe ChEBI
CH3CO2CH3 ChEBI
CH3COOCH3 ChEBI
Devoton KEGG COMPOUND
MeOAc ChEBI
methyl acetate UniProt
methyl ethanoate NIST Chemistry WebBook
Methylacetat ChemIDplus
Tereton KEGG COMPOUND
Database Links Databases
C17530 KEGG COMPOUND
HMDB31523 HMDB
METHYL-ACETATE MetaCyc
Methyl_acetate Wikipedia
View more database links
Registry Numbers Types Sources
1736662 Reaxys Registry Number Reaxys
79-20-9 CAS Registry Number KEGG COMPOUND
79-20-9 CAS Registry Number ChemIDplus
79-20-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
1323358 PubMed citation Europe PMC
14168434 PubMed citation Europe PMC
22869894 PubMed citation Europe PMC
23340101 PubMed citation Europe PMC
23602747 PubMed citation Europe PMC
23862653 PubMed citation Europe PMC
Last Modified
15 December 2016