CHEBI:87510 - hexyl acetate

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ChEBI Name hexyl acetate
ChEBI ID CHEBI:87510
Definition The acetate ester of hexan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H16O2
Net Charge 0
Average Mass 144.21140
Monoisotopic Mass 144.115
InChI InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChIKey AOGQPLXWSUTHQB-UHFFFAOYSA-N
SMILES CCCCCCOC(C)=O
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 hexyl acetate (CHEBI:87510) has functional parent hexan-1-ol (CHEBI:87393)
hexyl acetate (CHEBI:87510) has role metabolite (CHEBI:25212)
hexyl acetate (CHEBI:87510) is a acetate ester (CHEBI:47622)
IUPAC Name
hexyl acetate
Synonym Source
n-hexyl ethanoate ChEBI
Manual Xrefs Databases
Hexyl_acetate Wikipedia
HMDB0029980 HMDB
LMFA07010184 LIPID MAPS
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Registry Numbers Types Sources
142-92-7 CAS Registry Number NIST Chemistry WebBook
142-92-7 CAS Registry Number ChemIDplus
1747138 Reaxys Registry Number Reaxys
Last Modified
01 September 2015