1.0 2010-04-08 22:12:44 UTC 2019-11-26 03:13:58 UTC FDB016935 (2xi,4xi)-2,4-Dimethyl-1-hexanol Aroma and taste producing constituent of wine. (2xi,4xi)-2,4-Dimethyl-1-hexanol is found in alcoholic beverages. C8H18O 130.2279 130.135765198 2,4-dimethylhexan-1-ol 2,4-dimethylhexan-1-ol CCC(C)CC(C)CO InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3 GDRBQWCGBCJTLB-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 3.01 ALOGPS logs -1.90 ALOGPS solubility 1.64e+00 g/l ALOGPS logp 2.35 ChemAxon pka_strongest_acidic 17.37 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 2,4-dimethylhexan-1-ol ChemAxon average_mass 130.2279 ChemAxon mono_mass 130.135765198 ChemAxon smiles CCC(C)CC(C)CO ChemAxon formula C8H18O ChemAxon inchi InChI=1S/C8H18O/c1-4-7(2)5-8(3)6-9/h7-9H,4-6H2,1-3H3 ChemAxon inchikey GDRBQWCGBCJTLB-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.36 ChemAxon polarizability 16.71 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24314 Specdb::CMs 45551 Specdb::CMs 134319 Specdb::CMs 142053 Specdb::NmrOneD 23022 Specdb::NmrOneD 23023 Specdb::NmrOneD 23024 Specdb::NmrOneD 23025 Specdb::NmrOneD 23026 Specdb::NmrOneD 23027 Specdb::NmrOneD 23028 Specdb::NmrOneD 23029 Specdb::NmrOneD 23030 Specdb::NmrOneD 23031 Specdb::NmrOneD 23032 Specdb::NmrOneD 23033 Specdb::NmrOneD 23034 Specdb::NmrOneD 23035 Specdb::NmrOneD 23036 Specdb::NmrOneD 23037 Specdb::NmrOneD 23038 Specdb::NmrOneD 23039 Specdb::NmrOneD 23040 Specdb::NmrOneD 23041 Specdb::MsMs 110229 Specdb::MsMs 110230 Specdb::MsMs 110231 Specdb::MsMs 177852 Specdb::MsMs 177853 Specdb::MsMs 177854 Specdb::MsMs 2286412 Specdb::MsMs 2286413 Specdb::MsMs 2286414 Specdb::MsMs 3081966 Specdb::MsMs 3081967 Specdb::MsMs 3081968 HMDB37791 #<Reference:0x000055ce2ef0af08> Alcoholic beverages Unknown generic