CHEBI:27750 - ethyl acetate

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ChEBI Name ethyl acetate
ChEBI ID CHEBI:27750
Definition The acetate ester formed between acetic acid and ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42244, CHEBI:2389, CHEBI:23989
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Formula C4H8O2
Net Charge 0
Average Mass 88.10512
Monoisotopic Mass 88.052
InChI InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey XEKOWRVHYACXOJ-UHFFFAOYSA-N
SMILES CCOC(C)=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
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): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ethyl acetate (CHEBI:27750) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
ethyl acetate (CHEBI:27750) has role EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor (CHEBI:77706)
ethyl acetate (CHEBI:27750) has role metabolite (CHEBI:25212)
ethyl acetate (CHEBI:27750) has role polar aprotic solvent (CHEBI:48358)
ethyl acetate (CHEBI:27750) is a acetate ester (CHEBI:47622)
ethyl acetate (CHEBI:27750) is a ethyl ester (CHEBI:23990)
ethyl acetate (CHEBI:27750) is a volatile organic compound (CHEBI:134179)
IUPAC Name
ethyl acetate
Synonyms Sources
1-acetoxyethane NIST Chemistry WebBook
acetic acid ethyl ester ChemIDplus
acetic acid, ethyl ester ChemIDplus
acetic ester NIST Chemistry WebBook
acetoxyethane ChemIDplus
Acetyl ester KEGG COMPOUND
AcOEt ChEBI
CH3‒CO‒O‒CH3 IUPAC
Essigester NIST Chemistry WebBook
Essigsäureethylester ChEBI
Ethyl acetate KEGG COMPOUND
ETHYL ACETATE PDBeChem
ethyl acetic ester NIST Chemistry WebBook
ethyl ethanoate NIST Chemistry WebBook
Ethylacetat ChEBI
Ethylazetat ChEBI
EtOAc ChEBI
vinegar naphtha UM-BBD
Database Links Databases
C00001308 KNApSAcK
c0036 UM-BBD
C00849 KEGG COMPOUND
C01883 KEGG COMPOUND
D02319 KEGG DRUG
EEE PDBeChem
Ethyl_acetate Wikipedia
HMDB0031217 HMDB
View more database links
Registry Numbers Types Sources
141-78-6 CAS Registry Number ChemIDplus
141-78-6 CAS Registry Number NIST Chemistry WebBook
26306 Gmelin Registry Number Gmelin
506104 Beilstein Registry Number Beilstein
506104 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11684179 PubMed citation Europe PMC
15497757 PubMed citation Europe PMC
21764274 PubMed citation Europe PMC
21797203 PubMed citation Europe PMC
23078109 PubMed citation Europe PMC
23089728 PubMed citation Europe PMC
23108979 PubMed citation Europe PMC
23351147 PubMed citation Europe PMC
23614288 PubMed citation Europe PMC
Last Modified
15 December 2016