1.02010-04-08 22:12:15 UTC2019-11-26 03:12:48 UTCFDB0161344-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone or simply dehydrodihydroionone is a flavouring ingredient. It is found in fruits, specifically cooked raspberries.2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-4-(2,6,6-trimethyl cyclohexa-1,3-dienyl) butane-2-one4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)butan-2-one4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one7,8-Dihydro-3,4-dehydro-b-iononeDehydrodihydroiononeDihydrodehydro-beta-iononeFEMA 3447C13H20O192.2973192.1514152624-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one20483-36-7CC(=O)CCC1=C(C)C=CCC1(C)CInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3SQFRYZPEWOZAKJ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsHydrocarbon derivativesKetonesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeKetoneMegastigmane sesquiterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidlogp4.15logs-3.17solubility1.30e-01 g/llogp2.92pka_strongest_acidic19.6pka_strongest_basic-7.3iupac4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-oneaverage_mass192.2973mono_mass192.151415262smilesCC(=O)CCC1=C(C)C=CCC1(C)CformulaC13H20OinchiInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3inchikeySQFRYZPEWOZAKJ-UHFFFAOYSA-Npolar_surface_area17.07refractivity61.85polarizability23.14rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs12744Specdb::CMs160310Specdb::MsIr7397Specdb::MsIr7398Specdb::MsMs101880Specdb::MsMs101881Specdb::MsMs101882Specdb::MsMs167571Specdb::MsMs167572Specdb::MsMs167573Specdb::MsMs2341326Specdb::MsMs2341327Specdb::MsMs2341328Specdb::MsMs2594539Specdb::MsMs2594540Specdb::MsMs2594541HMDB37139#<Reference:0x0000555675a5eb98>FruitsUnknowngenericfloral