CHEBI:87495 - octyl acetate

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ChEBI Name octyl acetate
ChEBI ID CHEBI:87495
Definition The acetate ester of octan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.146
InChI InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey YLYBTZIQSIBWLI-UHFFFAOYSA-N
SMILES CCCCCCCCOC(C)=O
Metabolite of Species Details
Heracleum sp.ondylium subsp. ternatum (NCBI:txid542667) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Sources
Caprylyl acetate ChemIDplus
n-Octanyl acetate ChemIDplus
Octyl ethanoate ChemIDplus
Manual Xrefs Databases
HMDB0038602 HMDB
LMFA07010197 LIPID MAPS
Octyl_acetate Wikipedia
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Registry Numbers Types Sources
112-14-1 CAS Registry Number ChemIDplus
112-14-1 CAS Registry Number NIST Chemistry WebBook
1754554 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24697288 PubMed citation Europe PMC
26058155 PubMed citation Europe PMC
Last Modified
23 October 2015