Compound Summary

General Compound Information

caprylic acid

Description
Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.
Synonyms
octanoic acid;  caprylic acid;  124-07-2;  n-octanoic acid;  Octylic acid;
FlavorDB ID
890
PUBCHEM ID
379
Molecular Weight
144.21
Molecular Formula
C8H16O2
Openeye Can Smiles
CCCCCCCC(=O)O
IUPAC Inchikey
WWZKQHOCKIZLMA-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
taste fatty 5.200e+3 µmol/L gouda cheese details
taste 5.200e+3 µmol/L bouillon details
taste 5.200e+3 µmol/L details
smell 1.320e+7 ng/kg yoghurt details
smell carrot-like, moldy 1.318e+0 µmol/L licorice details
smell 2.704e+1 µmol/L rumred wine details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Oral rat LD50: 10080 mg/kg. Intravenous mouse LD50: 600 mg/kg. Skin rabbit LD50: over 5000 mg/kg.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
OCTANOIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR2W1 details Activated
OR52D1 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive