CHEBI:87380 - butyl octanoate

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ChEBI Name butyl octanoate
ChEBI ID CHEBI:87380
Definition An octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H24O2
Net Charge 0
Average Mass 200.31780
Monoisotopic Mass 200.17763
InChI InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChIKey PSXNDMJWRZYVTM-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OCCCC
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 butyl octanoate (CHEBI:87380) has functional parent butan-1-ol (CHEBI:28885)
butyl octanoate (CHEBI:87380) has role metabolite (CHEBI:25212)
butyl octanoate (CHEBI:87380) is a octanoate ester (CHEBI:87657)
IUPAC Name
butyl octanoate
Synonyms Sources
Butyl caprylate ChemIDplus
n-Butyl octanoate ChemIDplus
n-Butylcaprylate ChemIDplus
Registry Numbers Types Sources
1762103 Reaxys Registry Number Reaxys
589-75-3 CAS Registry Number NIST Chemistry WebBook
589-75-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
IND500596477 Agricola citation Europe PMC
Last Modified
01 September 2015