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CHEBI:87323 - 2-phenylethyl pentanoate

ChEBI IDCHEBI:87323
ChEBI Name2-phenylethyl pentanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of 2-phenylethanol with valeric acid.
Last Modified4 August 2015
Submitternamrata
DownloadsMolfile
FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCCCCC(=O)OCCc1ccccc1
InChIInChI=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
InChIKeyPDGPIBIURNPBSE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
valeric acid phenethyl esterChEBI
2-phenethyl valerateChemIDplus
Registry NumbersSources
Reaxys:3275613Reaxys
CAS:7460-74-4ChemIDplus