1.0 2016-05-19 02:16:36 UTC 2026-08-23 06:13:06 UTC 3-METHYLPENTANOIC ACID SmallMolecule 3-METHYLPENTANOIC ACID belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C6H12O2 and an average molecular weight of 116.16 g/mol. Industrially, the compound is utilized as a fragrance, as well as a nutrient and flavouring agent. It has been identified in 18 recorded sources across various categories. Within household cleaning and consumer products, it is found in perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and pipe accessories, among three other items. In the sector of electrical and electronic equipment, it is present in antennas, electrodes, fixed capacitors and their manufacture, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices. Additionally, the compound is associated with food, food processing and cookware, specifically in the preparation of vinegar, food preservation, fermentation processes for beer, and the preparation of wine or sparkling wine. (±)-3-Methylpentanoic acid 3-methyl pentanoic acid C6H12O2 116.1583 116.083729628 3-methylpentanoic acid 3-methyl valeric acid 105-43-1 CCC(C)CC(O)=O InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) IGIDLTISMCAULB-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 Detected and Not Quantified Acylcarnitine 3-Methylpentanoylcarnitine SMP0123827 logp 1.6 logp 1.82 ALOGPS logs -0.99 ALOGPS solubility 1.18e+01 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 5.09 ChemAxon iupac 3-methylpentanoic acid ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCC(C)CC(O)=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) ChemAxon inchikey IGIDLTISMCAULB-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 31.02 ChemAxon polarizability 12.96 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222aca008> 7755