1.0 2016-05-19 02:16:02 UTC 2026-03-31 22:36:30 UTC METHYL ISOVALERATE SmallMolecule Methyl isovalerate is an organic compound with the formula C6H12O2 and an average molecular weight of 116.16 g/mol. METHYL ISOVALERATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. In industrial applications, the compound is utilized as a fragrance, as well as a flavouring and nutrient. It is found in or released from 37 recorded sources across several sectors. Within the food, food processing and cookware category, it is associated with food preservation and fermentation processes for beer, as well as the preparation of malt, vinegar, and wine or sparkling wine. In household cleaning and consumer products, it is found in bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. Additionally, the compound is recorded in building and construction materials, specifically ladders and roofs. Its presence is also noted in electrical and electronic equipment, including antennas, coils, communication cables or conductors, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures. Methyl 3-methylbutanoate C6H12O2 116.1583 116.083729628 methyl 3-methylbutanoate methyl (3-methyl)butanoate 556-24-1 COC(=O)CC(C)C InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 OQAGVSWESNCJJT-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Fatty acid methyl esters Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Detected and Not Quantified logp 1.62 ALOGPS logs -1.12 ALOGPS solubility 8.75e+00 g/l ALOGPS logp 1.35 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl 3-methylbutanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles COC(=O)CC(C)C ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 ChemAxon inchikey OQAGVSWESNCJJT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.19 ChemAxon polarizability 12.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd015c800> 11160 10687