Compound Summary

General Compound Information

3-methylbutanoic acid

Description
Isovaleric acid is a C5, branched-chain saturated fatty acid. It has a role as a plant metabolite and a mammalian metabolite. It is a short-chain fatty acid, a methylbutyric acid and a branched-chain saturated fatty acid. It is a conjugate acid of an isovalerate.
Synonyms
ISOVALERIC ACID;  3-Methylbutanoic acid;  503-74-2;  3-Methylbutyric acid;  Isopentanoic acid;
FlavorDB ID
2782
PUBCHEM ID
Molecular Weight
102.13
Molecular Formula
C5H10O2
Openeye Can Smiles
CC(C)CC(=O)O
IUPAC Inchikey
GWYFCOCPABKNJV-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell sweaty 1.469e-5 µmol/L white wine details
smell sweaty 4.798e+0 µmol/L details
smell sweaty 1.175e+1 µmol/L details
smell sweaty, rancid 4.798e+0 µmol/L mango details
smell 4.798e+0 µmol/L blanched prawnfried prawn details
smell sweaty 4.798e+0 µmol/L tomato details
smell sweaty 4.798e+0 µmol/L licorice details
smell 1.300e+1 µg/kg gluten-free rice breadwheat bread details
smell cheesy, sweaty 4.798e+0 µmol/L jackfruit pulp details
smell cheesy, sweaty 4.798e+0 µmol/L cempedak details
smell rancid water details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Food Additive Safety (OFAS)
ISOVALERIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 3-Methylbutyric acid
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR11H4 details Activated
OR11H6 details Activated
OR11H7P details Activated
OR2W1 details Activated
OR51E1 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