1.0 2016-05-22 04:31:09 UTC 2026-08-22 18:20:04 UTC 1,1,1-Trichloro-2-methyl-2-propanol SmallMolecule 1,1,1-Trichloro-2-methyl-2-propanol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C4H7Cl3O and an average molecular weight of 177.45 g/mol. It functions as an industrial preservative and has one recorded protein target, the voltage-gated inwardly rectifying potassium channel KCNH2. The substance is found in or released from seven recorded sources. These include food preservation within the food, food processing, and cookware category, as well as drinking water and water supply. In the realm of healthcare, pharmaceuticals, and veterinary products, it is associated with antiemetics and antinauseants. It is also present in electrical and electronic equipment, specifically conductors or conductive bodies characterized by the conductive materials. Additionally, it is found in household cleaning and consumer products, such as soap detergents, bleaching agents, and perfumes within detergents and soaps. Recorded exposure routes for 1,1,1-Trichloro-2-methyl-2-propanol include oral, nasal, dental, auricular, and topical routes. chlorobutanol C4H7Cl3O 177.45 175.9562479 1,1,1-trichloro-2-methylpropan-2-ol chlorobutanol 57-15-8 CC(C)(O)C(Cl)(Cl)Cl InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 OSASVXMJTNOKOY-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Tertiary alcohols Alkyl chlorides Chlorohydrins Hydrocarbon derivatives Organochlorides Aliphatic acyclic compound Alkyl chloride Alkyl halide Chlorohydrin Halohydrin Hydrocarbon derivative Organochloride Organohalogen compound Tertiary alcohol Aliphatic acyclic compounds Detected and Not Quantified Chlorobutanol Drug Metabolism SMP0130767 Chlorobutanol Drug Metabolism Action Pathway SMP0144702 logp 1.75 logp 2.31 ALOGPS logs -2.03 ALOGPS solubility 1.65e+00 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 12.59 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1,1,1-trichloro-2-methylpropan-2-ol ChemAxon average_mass 177.45 ChemAxon mono_mass 175.9562479 ChemAxon smiles CC(C)(O)C(Cl)(Cl)Cl ChemAxon formula C4H7Cl3O ChemAxon inchi InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 ChemAxon inchikey OSASVXMJTNOKOY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 37.27 ChemAxon polarizability 14.75 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf1cb050> DB11386 5977 13842993 BE0000090