methyl acetate (CHEBI:77700)

ChEBI > Main

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

Read full article at Wikipedia

Formula

C3H6O2

Net Charge

Average Mass

74.07850

Monoisotopic Mass

74.03678

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.

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

Last Modified

15 December 2016