1.0 2016-10-03 18:18:58 UTC 2020-04-22 15:44:43 UTC BMDB0011469 BMDB11469 2-Butanol 1-Methyl-1-propanol 1-Methylpropyl alcohol 2-Butyl alcohol 2-Hydroxybutane Butanol-2 Methylethylcarbinol S-Butyl alcohol S-Butylalkohol Sec-butanol Sec-butyl alcohol 2-Butanol 2-Butanol, (+)-isomer 2-Butanol, (-)-isomer 2-Butanol, lithium salt, (S)-isomer 2-Butanol, aluminum salt 2-Butanol, lithium salt, (R)-isomer 2-Butanol, (+-)-isomer 2-Butanol, lithium salt, (+-)-isomer C4H10O 74.1216 74.073164942 butan-2-ol 2-butanol 78-92-2 CCC(C)O InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 BTANRVKWQNVYAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Secondary alcohols Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol Aliphatic acyclic compounds a small molecule secondary alcohol Liquid melting_point -114.7 °C water_solubility 181 mg/mL at 25 °C logp 0.61 HANSCH,C ET AL. (1995) logp 0.66 ALOGPS logs 0.42 ALOGPS logp 0.78 ChemAxon pka_strongest_acidic 17.69 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac butan-2-ol ChemAxon average_mass 74.1216 ChemAxon mono_mass 74.073164942 ChemAxon smiles CCC(C)O ChemAxon formula C4H10O ChemAxon inchi InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 ChemAxon inchikey BTANRVKWQNVYAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 21.95 ChemAxon polarizability 9.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 3984 Specdb::NmrOneD 4268 Specdb::EiMs 1952 Specdb::CMs 12764 Specdb::CMs 26821 Specdb::CMs 27167 Specdb::CMs 28646 Specdb::CMs 39594 Specdb::CMs 99953 Specdb::CMs 99954 Specdb::CMs 99955 Specdb::CMs 150806 Specdb::MsMs 9167 Specdb::MsMs 9168 Specdb::MsMs 9169 Specdb::MsMs 15839 Specdb::MsMs 15840 Specdb::MsMs 15841 Specdb::MsMs 2315867 Specdb::MsMs 2315868 Specdb::MsMs 2315869 Specdb::MsMs 2622749 Specdb::MsMs 2622750 Specdb::MsMs 2622751 Specdb::MsIr 2513 Specdb::MsIr 2514 Specdb::MsIr 2515 6320 6568 FDB016802 35687 C00053987 CPD-326 2-butanol