CHEBI:81257 - 3-phenylpropyl acetate

ChEBI IDCHEBI:81257
ChEBI Name3-phenylpropyl acetate
Stars
DefinitionThe acetate ester of 3-phenylpropan-1-ol.
Last Modified1 September 2015
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCC(=O)OCCCc1ccccc1
InChIInChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyJRJGKUTZNBZHNK-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.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
3-phenylpropyl acetate (CHEBI:81257) has role fragrance (CHEBI:48318)
3-phenylpropyl acetate (CHEBI:81257) has role metabolite (CHEBI:25212)
3-phenylpropyl acetate (CHEBI:81257) is a acetate ester (CHEBI:47622)
3-phenylpropyl acetate (CHEBI:81257) is a benzenes (CHEBI:22712)
IUPAC Name 
3-phenylpropyl acetate
Manual XrefsDatabases
C17663KEGG COMPOUND
Registry NumbersSources
Reaxys:744307Reaxys
CAS:122-72-5KEGG COMPOUND
CAS:122-72-5ChemIDplus
CAS:122-72-5NIST Chemistry WebBook
Citations