1.02010-04-08 22:05:49 UTC2015-07-20 21:55:50 UTCFDB0034942,6-Dimethyl-4-heptanoneFlavouring ingredient(iso-C4H9)2CO2,5-Dimethyl-4-heptanone2,6-dimethyl-4-heptanone (diisobutyl ketone)2,6-Dimethyl-heptan-4-on2,6-Dimethylheptan-4-one2,6-Dimethylheptanone2,6-Dimetil-eptan-4-one4-Heptanone, 2,6-dimethyl-4-HEPTANONE,2,6-DIMETHYL DIISOBUTYL,KETONEC9-KetonesDi-isobutylcetoneDIBKDibutyl ketoneDIIsobutilchetoneDiisobutyl ketoneDiisobutyl ketone [UN1157] [Flammable liquid]DIIsobutylketonDIIsobutylketoneDiisopropylacetoneFEMA 3537Heptanone, 2,6-dimethyl-, 4-Isobutyl ketoneIsovaleroneKetones, C9-branchedS-dIIsopropylacetoneSec-dIIsopropyl acetoneSYM-dIIsopropylacetoneValeroneC9H18O142.2386142.1357651982,6-dimethylheptan-4-one2,6-dimethyl-4-heptanone108-83-8CC(C)CC(=O)CC(C)CInChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3PTTPXKJBFFKCEK-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.KetonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundHydrocarbon derivativeKetoneOrganic oxideLiquidlogp2.71logs-2.16solubility9.78e-01 g/lmelting_point-41.5 oClogp2.97pka_strongest_basic-7.4iupac2,6-dimethylheptan-4-oneaverage_mass142.2386mono_mass142.135765198smilesCC(C)CC(=O)CC(C)CformulaC9H18OinchiInChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3inchikeyPTTPXKJBFFKCEK-UHFFFAOYSA-Npolar_surface_area17.07refractivity43.75polarizability17.77rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1311Specdb::NmrOneD2124Specdb::NmrOneD3444Specdb::CMs10567Specdb::CMs27141Specdb::CMs28053Specdb::CMs28598Specdb::CMs100065Specdb::CMs100066Specdb::CMs100067Specdb::CMs100768Specdb::CMs100769Specdb::CMs100770Specdb::CMs100771Specdb::CMs100772Specdb::CMs100773Specdb::CMs155445Specdb::MsMs64071Specdb::MsMs64072Specdb::MsMs64073Specdb::MsMs121128Specdb::MsMs121129Specdb::MsMs121130Specdb::MsMs2338836Specdb::MsMs2338837Specdb::MsMs2338838Specdb::MsMs2623931Specdb::MsMs2623932Specdb::MsMs2623933HMDB31417#<Reference:0x0000555676439bb8>bananafruitygreenmetallicpineapple