1.0 2016-05-19 04:02:43 UTC 2026-04-17 17:46:18 UTC 3-Methyl-2-butanone SmallMolecule 3-Methyl-2-butanone is an organic compound with the formula C5H10O and an average molecular weight of 86.13 g/mol. 3-Methyl-2-butanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, it serves as a solvent, a fragrance, and a flavouring and nutrient. Additionally, it is used in polypropylene plastics. The compound is identified in 30 recorded sources across various sectors. Within the category of food, food processing, and cookware, it is found in food preservation, the preparation of vinegar, the preparation of malt, and fermentation processes for beer. It is also present in drinking water and water supply. In household cleaning and consumer products, it appears in bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non-electric simulated smoking devices. Other recorded sources include coins, tents or canopies, and electrical and electronic equipment, specifically discharge lamps, antennas, coils, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures. The recorded route of exposure for this compound is oral. 3-methylbutan-2-one 3-methylbutanone Methylisopropyl ketone C5H10O 86.1323 86.073164942 3-methylbutan-2-one methyl isopropyl ketone 563-80-4 CC(C)C(C)=O InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 SYBYTAAJFKOIEJ-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons a ketone Detected and Not Quantified logp 0.78 ALOGPS logs -0.44 ALOGPS solubility 3.11e+01 g/l ALOGPS logp 1.35 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 3-methylbutan-2-one ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles CC(C)C(C)=O ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 ChemAxon inchikey SYBYTAAJFKOIEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 25.4 ChemAxon polarizability 10.17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226936378> 11251 10777