1.0 2016-05-19 02:04:40 UTC 2026-08-23 06:14:04 UTC ETHYL ISOBUTYRATE SmallMolecule Ethyl isobutyrate is an organic compound with the formula C6H12O2 and an average molecular weight of 116.16 g/mol. ETHYL ISOBUTYRATE belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. Industrially, the compound serves as a fragrance and is utilized as a flavouring and nutrient. It is associated with 22 recorded sources across several categories. Within household cleaning and consumer products, it is found in bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and five additional sources. In the sector of electrical and electronic equipment, it is present in electrodes, emergency protective devices, electric switches, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Additionally, it is linked to food, food processing, and cookware, specifically appearing in the preparation of vinegar, food preservation, cellar tools, fermentation processes for beer, the preparation of wine or sparkling wine, and one other source. Ethyl 2-methylpropanoate C6H12O2 116.1583 116.083729628 ethyl 2-methylpropanoate ethyl isobutyrate 97-62-1 CCOC(=O)C(C)C InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 WDAXFOBOLVPGLV-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Wax monoesters fatty acid methyl ester Detected and Not Quantified logp 1.5 logp 1.72 ALOGPS logs -0.93 ALOGPS solubility 1.36e+01 g/l ALOGPS logp 1.52 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-methylpropanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCOC(=O)C(C)C ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 ChemAxon inchikey WDAXFOBOLVPGLV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.36 ChemAxon polarizability 13.23 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:0x00007f727e082580> 7342 7065