1.0 2010-04-08 22:09:54 UTC 2025-11-18 23:32:12 UTC FDB011931 3-Methyl-2-butanol 3-Methyl-2-butanol is a flavouring ingredient. It is found in apple, cider, grape, honey, wine, orange juice and strawberry. (+)-3-Methyl-2-butanol (CH3)2CHCH(OH)CH3 (S)-(+)-3-Methyl-2-butanol 1,2-Dimethyl-1-propanol 1,2-Dimethylpropanol 2-Butanol, 3-methyl- 2-Butanol, 3-methyl-, (S)- 2-Methyl-3-butanol 3-Methyl butan-2-ol 3-Methyl-(S)-2-butanol 3-Methyl-butan-2-ol 3-Methylbutan-2-ol Butan-2-ol, 3-methyl- DL-3-Methyl-2-butanol FEMA 3703 Isopropyl methyl carbinol Isopropylmethylcarbinol Methylisopropylcarbinol sec-Isoamyl alcohol C5H12O 88.1482 88.088815006 3-methylbutan-2-ol 3-methyl-2-butanol 598-75-4 CC(C)C(C)O InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 MXLMTQWGSQIYOW-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). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol secondary alcohol logp 0.89 ALOGPS logs -0.11 ALOGPS solubility 6.92e+01 g/l ALOGPS logp 1.14 ChemAxon pka_strongest_acidic 18.18 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 3-methylbutan-2-ol ChemAxon average_mass 88.1482 ChemAxon mono_mass 88.088815006 ChemAxon smiles CC(C)C(C)O ChemAxon formula C5H12O ChemAxon inchi InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3 ChemAxon inchikey MXLMTQWGSQIYOW-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 26.42 ChemAxon polarizability 10.9 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2493 Specdb::CMs 27146 Specdb::CMs 43498 Specdb::CMs 101400 Specdb::CMs 131851 Specdb::CMs 139585 Specdb::MsMs 97929 Specdb::MsMs 97930 Specdb::MsMs 97931 Specdb::MsMs 162738 Specdb::MsMs 162739 Specdb::MsMs 162740 Specdb::MsMs 2447676 Specdb::MsMs 2447677 Specdb::MsMs 2447678 Specdb::MsMs 2517519 Specdb::MsMs 2517520 Specdb::MsMs 2517521 Specdb::MsIr 6259 Specdb::MsIr 6260 Specdb::MsIr 6261 Specdb::NmrOneD 4500 Specdb::NmrOneD 4626 Specdb::NmrOneD 122178 Specdb::NmrOneD 122179 Specdb::NmrOneD 122180 Specdb::NmrOneD 122181 Specdb::NmrOneD 122182 Specdb::NmrOneD 122183 Specdb::NmrOneD 122184 Specdb::NmrOneD 122185 Specdb::NmrOneD 122186 Specdb::NmrOneD 122187 Specdb::NmrOneD 122188 Specdb::NmrOneD 122189 Specdb::NmrOneD 122190 Specdb::NmrOneD 122191 Specdb::NmrOneD 122192 Specdb::NmrOneD 122193 Specdb::NmrOneD 122194 Specdb::NmrOneD 122195 Specdb::NmrOneD 122196 Specdb::NmrOneD 122197 HMDB33777 #<Reference:0x00007f093c051328> Alcoholic beverages Unknown generic Beer Type 2 specific 21.53 21.53 21.53 mg/100 g Citrus Unknown generic Fruits Unknown generic Pomes Unknown generic fruity