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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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