1.02010-04-08 22:05:42 UTC2019-11-26 02:58:38 UTCFDB0032163,5,5-Trimethyl-2-cyclohexen-1-one3,5,5-Trimethyl-2-cyclohexen-1-one is a flavouring ingredient. It is present in cranberries (Vaccinium microcarpa) and saffron (Crocus sativus), as well as in other herbs and spices.α-isophoronα-isophorone1,1, 3-Trimethyl-3-cyclohexene-5-one1,1,3-Trimethyl-3-cyclohexene-5-one1,5,5-Trimethyl-1-cyclohexen-3-one2-Cyclohexen-1-one, 3,5, 5-trimethyl-2-Cyclohexen-1-one, 3,5,5-trimethyl-3,3,5-Trimethyl-2-cyclohexen-1-one3,5, 5-Trimethyl-2-cyclohexene-1-one3,5,5-Trimethyl-2-cyclohexen-1-on3,5,5-Trimethyl-2-cyclohexene-1-one3,5,5-Trimethyl-2-cyclohexenone3,5,5-trimethylcyclohex-2-en-1-one3,5,5-Trimethylcyclohex-2-enone3,5,5-Trimethylcyclohexen one3,5,5-Trimethylcyclohexen-2-one-13,5,5-Trimethylcyclohexenone3,5,5-Trimetil-2-cicloesen-1-onea-Isophoronealpha -Isophoronalpha -IsophoroneAlpha-isophoroneDIIsophoroneFEMA 3553IsoacetophoroneIsoforonIsoforoneIsooctopheroneIsophoronIsophoroneIsophorone, reagIzoforonnchem.180-comp3C9H14O138.2069138.104465073,5,5-trimethylcyclohex-2-en-1-oneisophorone78-59-1CC1=CC(=O)CC(C)(C)C1InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3HJOVHMDZYOCNQW-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.CyclohexenonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCyclohexenoneHydrocarbon derivativeOrganic oxidecyclic ketoneenoneLiquidlogp1.90logs-1.86solubility1.89e+00 g/lmelting_point-8.1 oClogp2.32pka_strongest_basic-4.5iupac3,5,5-trimethylcyclohex-2-en-1-oneaverage_mass138.2069mono_mass138.10446507smilesCC1=CC(=O)CC(C)(C)C1formulaC9H14OinchiInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3inchikeyHJOVHMDZYOCNQW-UHFFFAOYSA-Npolar_surface_area17.07refractivity42.65polarizability16.22rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4163Specdb::MsIr4164Specdb::CMs22065Specdb::CMs26916Specdb::CMs28166Specdb::CMs28185Specdb::CMs28544Specdb::CMs100605Specdb::CMs100606Specdb::CMs100607Specdb::CMs100608Specdb::CMs130532Specdb::CMs138266Specdb::MsMs11990Specdb::MsMs11991Specdb::MsMs11992Specdb::MsMs18662Specdb::MsMs18663Specdb::MsMs18664Specdb::MsMs2238095Specdb::MsMs2322925Specdb::MsMs2322926Specdb::MsMs2322927Specdb::MsMs2616450Specdb::MsMs2616451Specdb::MsMs2616452Specdb::NmrOneD18242Specdb::NmrOneD18243Specdb::NmrOneD18244Specdb::NmrOneD18245Specdb::NmrOneD18246Specdb::NmrOneD18247Specdb::NmrOneD18248Specdb::NmrOneD18249Specdb::NmrOneD18250Specdb::NmrOneD18251Specdb::NmrOneD18252Specdb::NmrOneD18253Specdb::NmrOneD18254Specdb::NmrOneD18255Specdb::NmrOneD18256Specdb::NmrOneD18257Specdb::NmrOneD18258Specdb::NmrOneD18259Specdb::NmrOneD18260Specdb::NmrOneD18261HMDB31195#<Reference:0x00005556741be250>Cherry tomatoType 1specificSolanum lycopersicum var. cerasiforme195583FruitsUnknowngenericGarden tomatoType 1specificSolanum lycopersicum4081Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755Herbs and SpicesUnknowngenericKohlrabiType 1specificBrassica oleracea var. gongylodes1093790.0060.0060.006mg/100 gSaffronType 1specificCrocus sativus82528White mustardType 1specificSinapis alba3728camphorcamphoraceouscedarwoodcoolingfruitygreenleathermustysweettobaccowoody