EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87496 - octyl formate

ChEBI IDCHEBI:87496
ChEBI Nameoctyl formate
Stars
DefinitionA formate ester of octan-1-ol.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILES[H]C(=O)OCCCCCCCC
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
InChIKeyAVBRYQRTMPHARE-UHFFFAOYSA-N
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)
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  Source
Octyl methanoateChemIDplus
n-Octyl formateChemIDplus
Manual XrefsDatabases
HMDB0038603HMDB
LMFA07010980LIPID MAPS
Registry NumbersSources
Reaxys:1755259Reaxys
CAS:112-32-3ChemIDplus
CAS:112-32-3NIST Chemistry WebBook
Citations