CHEBI:86055 - ethyl hexanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ethyl hexanoate
ChEBI ID CHEBI:86055
Definition A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H16O2
Net Charge 0
Average Mass 144.21140
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
SMILES CCCCCC(=O)OCC
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 ethyl hexanoate (CHEBI:86055) has role metabolite (CHEBI:25212)
ethyl hexanoate (CHEBI:86055) is a fatty acid ethyl ester (CHEBI:78206)
ethyl hexanoate (CHEBI:86055) is a hexanoate ester (CHEBI:87656)
IUPAC Name
ethyl hexanoate
Synonyms Sources
Caproic acid ethyl ester HMDB
ethyl caproate ChEBI
Ethyl ester of hexanoic acid NIST Chemistry WebBook
ethyl hexanoate UniProt
Ethyl hexoate HMDB
Ethyl n-hexanoat NIST Chemistry WebBook
hexanoic acid ethyl ester ChEBI
n-Caproic acid ethyl ester NIST Chemistry WebBook
Manual Xref Database
HMDB0040209 HMDB
View more database links
Registry Numbers Types Sources
123-66-0 CAS Registry Number NIST Chemistry WebBook
123-66-0 CAS Registry Number ChemIDplus
1701293 Reaxys Registry Number Reaxys
Last Modified
04 September 2017