1.0 2010-04-08 22:07:16 UTC 2023-11-20 06:00:10 UTC FDB006719 2-Methylpropan-2-ol132 Tert-Butyl alcohol (TBA), also called tert-butanol or t-butanol, is the simplest tertiary alcohol, with a formula of (CH3)3COH (sometimes represented as t-BuOH). It is one of the four isomers of butanol. It is unique among the isomers of butanol because it tends to be a solid at room temperature, with a melting point slightly above 25 °C. It has a camphor-like odor and is miscible with water, ethanol and diethyl ether. tert-Butyl alcohol is derived commercially from isobutane as a coproduct of propylene oxide production. It can also be produced by the catalytic hydration of isobutylene, or by a Grignard reaction between acetone and methylmagnesium chloride. tert-Butyl alcohol is used as a solvent, ethanol denaturant, paint remover ingredient, and gasoline octane booster. tert-Butyl alcohol is found in guava and ginger and it has also been identified in beer and chickpeas. (CH3)3C-OH 1,1-Dimethylethanol 2-Methyl n-propan-2-ol 2-Methyl-2-propanol 2-Methylpropan-2-ol 2-Propanol, 2-methyl- Alcohol, tert-butyl Dimethylethanol Methanol, trimethyl- t-Butanol t-Butyl alchohol t-Butyl alcohol t-Butyl hydroxide t-Butylalkohol tert-Butanol tert-Butyl alcohol tert-Butyl hydroxide tert-Butylalcohol TERTIARY-butyl alcohol Trimethyl carbinol Trimethyl methanol Trimethyl-methanol Trimethylcarbinol Trimethylmethanol C4H10O 74.1216 74.073164942 2-methylpropan-2-ol 2-methyl-2-propanol 75-65-0 CC(C)(C)O InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 DKGAVHZHDRPRBM-UHFFFAOYSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Tertiary alcohol tertiary alcohol logp 0.70 ALOGPS logs 0.32 ALOGPS solubility 1.54e+02 g/l ALOGPS melting_point 25.4 oC logp 0.54 ChemAxon pka_strongest_acidic 18.09 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-methylpropan-2-ol ChemAxon average_mass 74.1216 ChemAxon mono_mass 74.073164942 ChemAxon smiles CC(C)(C)O ChemAxon formula C4H10O ChemAxon inchi InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 ChemAxon inchikey DKGAVHZHDRPRBM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 22.07 ChemAxon polarizability 8.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18497 Specdb::CMs 26822 Specdb::CMs 27169 Specdb::CMs 28647 Specdb::CMs 29323 Specdb::CMs 42492 Specdb::CMs 100787 Specdb::CMs 100788 Specdb::CMs 100789 Specdb::CMs 100790 Specdb::CMs 162659 Specdb::MsIr 4470 Specdb::MsIr 4471 Specdb::MsIr 4472 Specdb::MsMs 95307 Specdb::MsMs 95308 Specdb::MsMs 95309 Specdb::MsMs 159543 Specdb::MsMs 159544 Specdb::MsMs 159545 Specdb::MsMs 2475137 Specdb::MsMs 2475138 Specdb::MsMs 2475139 Specdb::MsMs 2490833 Specdb::MsMs 2490834 Specdb::MsMs 2490835 HMDB31456 45895 TBU #<Reference:0x000055ce3208dfd0> #<Reference:0x000055ce3208de18> #<Reference:0x000055ce3208dc60> Ginger Type 1 specific Zingiber officinale 94328 Guava Type 1 specific Psidium guajava 120290 camphor Ribonuclease pancreatic P07998 RNASE1 Triosephosphate isomerase P60174 TPI1