1.0 2016-05-19 02:11:32 UTC 2026-05-14 17:51:55 UTC ISOVALERIC ACID SmallMolecule ISOVALERIC ACID belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C5H10O2 and an average molecular weight of 102.13 g/mol. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient. The compound is found in or released from 40 recorded sources. These include household cleaning and consumer products such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. It is present in food, food processing, and cookware, specifically in food contact materials, cellar tools, food preservation, molasses and treatment of molasses, and fermentation processes for beer. Other sources include drinking water, indoor air, and electrical and electronic equipment, such as amplifiers, antennas, auxiliary devices, contacts, and conductors or conductive bodies characterised by the conductive materials. Regarding plastics, ISOVALERIC ACID is present in polypropylene and released in low-density polyethylene. Recorded exposure routes include oral, inhalation, and touch. Three protein targets have been recorded for this compound: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase (cumD), aspartate aminotransferase (aspC), and sedolisin (pcp). 3-Methylbutanoic acid 3-methylbutanoic acid C5H10O2 102.1317 102.068079564 3-methylbutanoic acid isovaleric acid 503-74-2 CC(C)CC(O)=O InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) GWYFCOCPABKNJV-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Methyl-branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids Branched fatty acids branched-chain saturated fatty acid methylbutyric acid short-chain fatty acid Detected and Not Quantified Isovaleric Acidemia SMP0125676 logp 1.21 logp 1.26 ALOGPS logs -0.20 ALOGPS solubility 6.49e+01 g/l ALOGPS logp 1.21 ChemAxon pka_strongest_acidic 5.01 ChemAxon iupac 3-methylbutanoic acid ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CC(C)CC(O)=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) ChemAxon inchikey GWYFCOCPABKNJV-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 26.42 ChemAxon polarizability 10.99 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722208c1e0> DB03750 10430 10001 BE0001217 BE0001936 BE0002742