CHEBI:87323 - 2-phenylethyl pentanoate

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ChEBI Name 2-phenylethyl pentanoate
ChEBI ID CHEBI:87323
Definition A fatty acid ester obtained by the formal condensation of 2-phenylethanol with valeric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H18O2
Net Charge 0
Average Mass 206.28080
Monoisotopic Mass 206.13068
InChI InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKey PDGPIBIURNPBSE-UHFFFAOYSA-N
SMILES CCCCC(=O)OCCc1ccccc1
ChEBI Ontology
Outgoing 2-phenylethyl pentanoate (CHEBI:87323) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl pentanoate (CHEBI:87323) has functional parent valeric acid (CHEBI:17418)
2-phenylethyl pentanoate (CHEBI:87323) is a fatty acid ester (CHEBI:35748)
IUPAC Name
2-phenylethyl pentanoate
Synonyms Sources
2-phenethyl valerate ChemIDplus
valeric acid phenethyl ester ChEBI
Registry Numbers Types Sources
3275613 Reaxys Registry Number Reaxys
7460-74-4 CAS Registry Number ChemIDplus
Last Modified
04 August 2015