CHEBI:87365 - propyl hexanoate

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ChEBI Name propyl hexanoate
ChEBI ID CHEBI:87365
Definition A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.23800
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
InChIKey HTUIWRWYYVBCFT-UHFFFAOYSA-N
SMILES CCCCCC(=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.
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ChEBI Ontology
Outgoing propyl hexanoate (CHEBI:87365) has functional parent propan-1-ol (CHEBI:28831)
propyl hexanoate (CHEBI:87365) has role metabolite (CHEBI:25212)
propyl hexanoate (CHEBI:87365) is a hexanoate ester (CHEBI:87656)
IUPAC Name
propyl hexanoate
Synonyms Sources
caproic acid propyl ester ChEBI
caproyl acid propyl ester ChEBI
hexanoic acid propyl ester ChEBI
n-propyl hexanoaten NIST Chemistry WebBook
propyl caproate ChEBI
Registry Numbers Types Sources
1752238 Reaxys Registry Number Reaxys
626-77-7 CAS Registry Number NIST Chemistry WebBook
626-77-7 CAS Registry Number ChemIDplus
Last Modified
23 October 2015