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CHEBI:87510 - hexyl acetate

ChEBI IDCHEBI:87510
ChEBI Namehexyl acetate
Stars
DefinitionThe acetate ester of hexan-1-ol.
Last Modified10 September 2020
Submitternamrata
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCCCCCOC(C)=O
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChIKeyAOGQPLXWSUTHQB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 ethanoateChEBI
UniProt Name  Source
hexyl acetateUniProt
Manual XrefsDatabases
Hexyl_acetateWikipedia
HMDB0029980HMDB
LMFA07010184LIPID MAPS
Registry NumbersSources
Reaxys:1747138Reaxys
CAS:142-92-7ChemIDplus
CAS:142-92-7NIST Chemistry WebBook