Compound Summary

General Compound Information

hexanoic acid

Description
Hexanoic acid is a C6, straight-chain saturated fatty acid. It has a role as a human metabolite and a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a hexanoate.
Synonyms
HEXANOIC ACID;  Caproic acid;  142-62-1;  n-Hexanoic acid;  n-Caproic acid;
FlavorDB ID
2499
PUBCHEM ID
8892
Molecular Weight
116.16
Molecular Formula
C6H12O2
Openeye Can Smiles
CCCCCC(=O)O
IUPAC Inchikey
FUZZWVXGSFPDMH-UHFFFAOYSA-N
Similarity
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Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
taste fatty 3.400e+3 µmol/L gouda cheese details
taste 3.400e+3 µmol/L bouillon details
taste 3.400e+3 µmol/L details
smell goat-like 2.583e+1 µmol/L wheat bread details
smell goat-like 1.100e+4 µg/kg wheat bread details
smell 1.360e+4 µg/kg yoghurt details
smell sweaty 4.132e+1 µmol/L details
smell sweaty 7.834e+1 µmol/L details
smell sweaty 4.132e+1 µmol/L raw licorice details
smell sweaty 4.132e+1 µmol/L jackfruit pulp details
smell sweaty 4.132e+1 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Food Additive Safety (OFAS)
HEXANOIC 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]
OR51L1 details Activated
OR52D1 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive
Experimental LCMS view LCMS_Positive positive
Experimental LCMS view LCMS_Negative negative