CHEBI:52051 - benzyl acetate

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ChEBI Name benzyl acetate
ChEBI ID CHEBI:52051
Definition The acetate ester of benzyl alcohol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C9H10O2
Net Charge 0
Average Mass 150.175
Monoisotopic Mass 150.068
InChI InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QUKGYYKBILRGFE-UHFFFAOYSA-N
SMILES CC(=O)OCC1=CC=CC=C1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing benzyl acetate (CHEBI:52051) has role metabolite (CHEBI:25212)
benzyl acetate (CHEBI:52051) is a acetate ester (CHEBI:47622)
benzyl acetate (CHEBI:52051) is a benzyl ester (CHEBI:90628)
IUPAC Name
phenylmethyl acetate
Synonyms Sources
Acetic acid, benzyl ester ChemIDplus
Acetic acid, phenylmethyl ester ChemIDplus
benzyl acetate UniProt
Benzyl ethanoate ChemIDplus
Phenylmethyl ethanoate ChemIDplus
Database Links Databases
C15513 KEGG COMPOUND
J0Z PDBeChem
View more database links
Registry Numbers Types Sources
140-11-4 CAS Registry Number KEGG COMPOUND
140-11-4 CAS Registry Number SUBMITTER
140-11-4 CAS Registry Number NIST Chemistry WebBook
140-11-4 CAS Registry Number ChemIDplus
1908121 Beilstein Registry Number Beilstein
Last Modified
03 December 2015