1.02010-04-08 22:05:41 UTC2015-07-20 21:51:37 UTCFDB003167DiisobutylcarbinolFlavouring ingredient2, 6-Dimethyl-4-heptanol2,6-Dimethyl heptanol-42,6-Dimethyl-4-heptanol2,6-Dimethylheptan-4-ol2,6-Dimethylheptanol-44-Heptanol, 2, 6-dimethyl-4-Heptanol, 2,6-dimethyl-4-Hydroxy-2,6-dimethyl heptaneDiisobutylcarbinolFEMA 3140C9H20O144.2545144.1514152622,6-dimethylheptan-4-ol2,6-dimethyl-4-heptanol108-82-7CC(C)CC(O)CC(C)CInChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3HXQPUEQDBSPXTE-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 alcoholsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic acyclic compoundsHydrocarbon derivativesAliphatic acyclic compoundHydrocarbon derivativeSecondary alcoholLiquidlogp3.03logs-2.15solubility1.03e+00 g/llogp2.76pka_strongest_acidic19.13pka_strongest_basic-0.99iupac2,6-dimethylheptan-4-olaverage_mass144.2545mono_mass144.151415262smilesCC(C)CC(O)CC(C)CformulaC9H20OinchiInChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3inchikeyHXQPUEQDBSPXTE-UHFFFAOYSA-Npolar_surface_area20.23refractivity44.78polarizability18.57rotatable_bond_count4acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr4105Specdb::MsIr4106Specdb::MsIr4107Specdb::CMs19700Specdb::CMs42371Specdb::CMs151976Specdb::MsMs90219Specdb::MsMs90220Specdb::MsMs90221Specdb::MsMs153324Specdb::MsMs153325Specdb::MsMs153326Specdb::MsMs2699482Specdb::MsMs2699483Specdb::MsMs2699484Specdb::MsMs3005766Specdb::MsMs3005767Specdb::MsMs3005768HMDB31153#<Reference:0x0000555675b6aaa0>etherealfermentedfreshmildyeasty