phenethyl acetate (CHEBI:31988)

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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	ChemicalBook:CB3766206, eMolecules:495144, ZINC000000388671

Download	Molfile XML SDF

Formula

C10H12O2

Net Charge

Average Mass

164.20108

Monoisotopic Mass

164.08373

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.

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	UniProt
Phenethyl acetate	KEGG COMPOUND
phenethyl alcohol, acetate	ChemIDplus

Citations

Last Modified

21 July 2020