CHEBI:52051 - benzyl acetate

ChEBI IDCHEBI:52051
ChEBI Namebenzyl acetate
Stars
DefinitionThe acetate ester of benzyl alcohol.
Last Modified3 December 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCC(=O)OCc1ccccc1
InChIInChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQUKGYYKBILRGFE-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Acetic acid, benzyl esterChemIDplus
Acetic acid, phenylmethyl esterChemIDplus
Benzyl ethanoateChemIDplus
Phenylmethyl ethanoateChemIDplus
UniProt Name  Source
benzyl acetateUniProt
Manual XrefsDatabases
C15513KEGG COMPOUND
J0ZPDBeChem
C15513KEGG COMPOUND
Registry NumbersSources
Beilstein:1908121Beilstein
CAS:140-11-4SUBMITTER
CAS:140-11-4ChemIDplus
CAS:140-11-4NIST Chemistry WebBook
CAS:140-11-4KEGG COMPOUND