1.0 2010-04-08 22:05:41 UTC 2025-11-18 22:48:10 UTC FDB003167 Diisobutylcarbinol Flavouring ingredient 2, 6-Dimethyl-4-heptanol 2,6-Dimethyl heptanol-4 2,6-Dimethyl-4-heptanol 2,6-Dimethylheptan-4-ol 2,6-Dimethylheptanol-4 4-Heptanol, 2, 6-dimethyl- 4-Heptanol, 2,6-dimethyl- 4-Hydroxy-2,6-dimethyl heptane Diisobutylcarbinol FEMA 3140 C9H20O 144.2545 144.151415262 2,6-dimethylheptan-4-ol 2,6-dimethyl-4-heptanol 108-82-7 CC(C)CC(O)CC(C)C InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3 HXQPUEQDBSPXTE-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 Liquid logp 3.03 ALOGPS logs -2.15 ALOGPS solubility 1.03e+00 g/l ALOGPS logp 2.76 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac 2,6-dimethylheptan-4-ol ChemAxon average_mass 144.2545 ChemAxon mono_mass 144.151415262 ChemAxon smiles CC(C)CC(O)CC(C)C ChemAxon formula C9H20O ChemAxon inchi InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3 ChemAxon inchikey HXQPUEQDBSPXTE-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 44.78 ChemAxon polarizability 18.57 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19700 Specdb::CMs 42371 Specdb::CMs 151976 Specdb::MsIr 4105 Specdb::MsIr 4106 Specdb::MsIr 4107 Specdb::MsMs 90219 Specdb::MsMs 90220 Specdb::MsMs 90221 Specdb::MsMs 153324 Specdb::MsMs 153325 Specdb::MsMs 153326 Specdb::MsMs 2699482 Specdb::MsMs 2699483 Specdb::MsMs 2699484 Specdb::MsMs 3005766 Specdb::MsMs 3005767 Specdb::MsMs 3005768 HMDB31153 #<Reference:0x000055ce31cfea90> ethereal fermented fresh mild yeasty