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CHEBI:87374 - propyl octanoate
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ChEBI Name
propyl octanoate
ChEBI ID
CHEBI:87374
Definition
An octanoate ester resulting from the formal condensation of the carboxy group of octanoic acid (caprylic acid) with the hydroxy group of propan-1-ol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H22O2
Net Charge
0
Average Mass
186.29120
Monoisotopic Mass
186.16198
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
InChIKey
IDHBLVYDNJDWNO-UHFFFAOYSA-N
SMILES
CCCCCCCC(=O)OCCC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
propyl octanoate (
CHEBI:87374
)
has role
metabolite (
CHEBI:25212
)
propyl octanoate (
CHEBI:87374
)
is a
octanoate ester (
CHEBI:87657
)
IUPAC Name
propyl octanoate
Synonyms
Sources
octanoic acid propyl ester
ChEBI
propyl caprylate
ChEBI
Registry Numbers
Types
Sources
1759126
Reaxys Registry Number
Reaxys
624-13-5
CAS Registry Number
ChemIDplus
624-13-5
CAS Registry Number
NIST Chemistry WebBook
Last Modified
01 September 2015