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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.
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This entity has been manually annotated by the ChEBI Team.
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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