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CHEBI:31988 - phenethyl acetate

ChEBI IDCHEBI:31988
ChEBI Namephenethyl acetate
Stars
DefinitionThe acetate ester of 2-phenylethanol.
Last Modified21 July 2020
DownloadsMolfile
FormulaC10H12O2
Net Charge0
Average Mass164.204
Monoisotopic Mass164.08373
SMILESCC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyMDHYEMXUFSJLGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
phenethyl acetate (CHEBI:31988) has functional parent 2-phenylethanol (CHEBI:49000)
phenethyl acetate (CHEBI:31988) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
phenethyl acetate (CHEBI:31988) has role metabolite (CHEBI:25212)
phenethyl acetate (CHEBI:31988) is a acetate ester (CHEBI:47622)
IUPAC Name 
2-phenylethyl acetate
Synonyms  Source
Phenethyl acetateKEGG COMPOUND
2-Phenylethyl acetateKEGG COMPOUND
β-phenethyl acetateNIST Chemistry WebBook
β-phenylethyl acetateNIST Chemistry WebBook
acetic acid β-phenylethyl esterNIST Chemistry WebBook
acetic acid, 2-phenylethyl esterChemIDplus
UniProt Name  Source
phenethyl acetateUniProt
Manual XrefsDatabases
C12303KEGG COMPOUND
HMDB0033945HMDB
Registry NumbersSources
Reaxys:638179Reaxys
CAS:103-45-7KEGG COMPOUND
CAS:103-45-7NIST Chemistry WebBook
CAS:103-45-7ChemIDplus
Citations