CHEBI:31988 - phenethyl acetate

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ChEBI Name phenethyl acetate
ChEBI ID CHEBI:31988
Definition The acetate ester of 2-phenylethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.20108
Monoisotopic Mass 164.084
InChI InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey MDHYEMXUFSJLGV-UHFFFAOYSA-N
SMILES CC(=O)OCCc1ccccc1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-phenethyl acetate NIST Chemistry WebBook
2-Phenylethyl acetate KEGG COMPOUND
acetic acid β-phenylethyl ester NIST Chemistry WebBook
acetic acid, 2-phenylethyl ester ChemIDplus
acetic acid, phenethyl ester ChemIDplus
benzylcarbinyl acetate ChemIDplus
β-phenethyl acetate NIST Chemistry WebBook
β-phenylethyl acetate NIST Chemistry WebBook
Phenethyl acetate KEGG COMPOUND
phenethyl alcohol, acetate ChemIDplus
Manual Xrefs Databases
C12303 KEGG COMPOUND
HMDB0033945 HMDB
View more database links
Registry Numbers Types Sources
103-45-7 CAS Registry Number KEGG COMPOUND
103-45-7 CAS Registry Number ChemIDplus
103-45-7 CAS Registry Number NIST Chemistry WebBook
638179 Reaxys Registry Number Reaxys
638179 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
25664918 PubMed citation Europe PMC
25886016 PubMed citation Europe PMC
Last Modified
21 January 2016