1.02010-04-08 22:09:40 UTC2019-11-26 03:04:57 UTCFDB0114724-Acetyl-1-methylcyclohexeneFlavouring ingredient. Isolated from the famine food Santalum album (sandalwood). 4-Acetyl-1-methylcyclohexene is found in cereals and cereal products.1-(4-Methyl-3-cyclohexen-1-yl)-ethanone1-(4-Methyl-3-cyclohexen-1-yl)ethanone1-(4-Methyl-3-cyclohexen-1-yl)ethanone, 9CI1-methyl-4-acetylcyclohex-1-ene1',2',3',6'-Tetrahydro-4'-methylacetophenone1H-Indole-3-ethanamine, N,N-diethyl-1H-Indole-3-ethanamine, N,N-diethyl- (9CI)3-(2-(Diethylamino)ethyl)-indole3-(2-Diethylaminoethyl)indole4-Acetyl-1-methyl-1-cyclohexene4-acetyl-1-methylcyclohex-1-eneCyclohexene, 1-methyl-4-acetylCyclohexene, 4-acetyl-1-methylD.e.t.DETDiethyltryptamineEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-Indole, 3-(2-(diethylamino)ethyl)-N,N-Diethyl-1H-indole-3-ethanamineN,N-diethyl-2-(1H-indol-3-yl)ethanamineN,n-diethyltryptamineTetrahydro-p-acetyltolueneC9H14O138.2069138.104465071-(4-methylcyclohex-3-en-1-yl)ethan-1-one4-acetyl-1-methylcyclohexene6090-09-1CC(=O)C1CCC(C)=CC1InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3HOBBEYSRFFJETF-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 homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundHydrocarbon derivativeKetoneOrganic oxidelogp2.30logs-1.76solubility2.40e+00 g/llogp2.1pka_strongest_acidic19.43pka_strongest_basic-7.4iupac1-(4-methylcyclohex-3-en-1-yl)ethan-1-oneaverage_mass138.2069mono_mass138.10446507smilesCC(=O)C1CCC(C)=CC1formulaC9H14OinchiInChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3inchikeyHOBBEYSRFFJETF-UHFFFAOYSA-Npolar_surface_area17.07refractivity42.8polarizability16.26rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6088Specdb::MsIr6089Specdb::CMs14440Specdb::CMs27227Specdb::CMs101343Specdb::CMs154010Specdb::NmrOneD119898Specdb::NmrOneD119899Specdb::NmrOneD119900Specdb::NmrOneD119901Specdb::NmrOneD119902Specdb::NmrOneD119903Specdb::NmrOneD119904Specdb::NmrOneD119905Specdb::NmrOneD119906Specdb::NmrOneD119907Specdb::NmrOneD119908Specdb::NmrOneD119909Specdb::NmrOneD119910Specdb::NmrOneD119911Specdb::NmrOneD119912Specdb::NmrOneD119913Specdb::NmrOneD119914Specdb::NmrOneD119915Specdb::NmrOneD119916Specdb::NmrOneD119917Specdb::MsMs84588Specdb::MsMs84589Specdb::MsMs84590Specdb::MsMs146478Specdb::MsMs146479Specdb::MsMs146480Specdb::MsMs2725727Specdb::MsMs2725728Specdb::MsMs2725729Specdb::MsMs2956542Specdb::MsMs2956543Specdb::MsMs2956544HMDB33434#<Reference:0x00005556740ce3e0>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericspice