CHEBI:87496 - octyl formate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octyl formate
ChEBI ID CHEBI:87496
Definition A formate ester of octan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H18O2
Net Charge 0
Average Mass 158.23800
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
InChIKey AVBRYQRTMPHARE-UHFFFAOYSA-N
SMILES CCCCCCCCOC=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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing octyl formate (CHEBI:87496) has functional parent octan-1-ol (CHEBI:16188)
octyl formate (CHEBI:87496) has role metabolite (CHEBI:25212)
octyl formate (CHEBI:87496) is a formate ester (CHEBI:52343)
IUPAC Name
octyl formate
Synonyms Sources
n-Octyl formate ChemIDplus
Octyl methanoate ChemIDplus
Manual Xrefs Databases
HMDB0038603 HMDB
LMFA07010980 LIPID MAPS
View more database links
Registry Numbers Types Sources
112-32-3 CAS Registry Number NIST Chemistry WebBook
112-32-3 CAS Registry Number ChemIDplus
1755259 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12710734 PubMed citation Europe PMC
Last Modified
17 August 2015