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CHEBI:87495 - octyl acetate

ChEBI IDCHEBI:87495
ChEBI Nameoctyl acetate
Stars
DefinitionThe acetate ester of octan-1-ol.
Last Modified8 August 2025
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCCCCCOC(C)=O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKeyYLYBTZIQSIBWLI-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Heracleum sphondylium subsp. ternatum (ncbitaxon:542667) - PubMed (24697288)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
octyl acetate (CHEBI:87495) has functional parent octan-1-ol (CHEBI:16188)
octyl acetate (CHEBI:87495) has role plant metabolite (CHEBI:76924)
octyl acetate (CHEBI:87495) is a acetate ester (CHEBI:47622)
IUPAC Name 
octyl acetate
Synonyms  Source
Caprylyl acetateChemIDplus
Octyl ethanoateChemIDplus
n-Octanyl acetateChemIDplus
UniProt Name  Source
octyl acetateUniProt
Manual XrefsDatabases
LMFA07010197LIPID MAPS
Octyl_acetateWikipedia
HMDB0038602HMDB
Registry NumbersSources
Reaxys:1754554Reaxys
CAS:112-14-1ChemIDplus
CAS:112-14-1NIST Chemistry WebBook
Citations