1.0 2010-04-08 22:04:45 UTC 2025-11-18 22:25:58 UTC FDB000898 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one Flavouring ingredient Allyl alpha-ionone Allyl ionone Allyl-a-ionone Cetone V FEMA 2033 Hexalon Polyone C16H24O 232.3612 232.18271539 (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one 79-78-7 CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+ FXCYGAGBPZQRJE-ZHACJKMWSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclofarsesane sesquiterpenoid Enone Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Liquid logp 4.79 ALOGPS logs -4.70 ALOGPS solubility 4.60e-03 g/l ALOGPS melting_point <25 oC logp 4.6 ChemAxon pka_strongest_basic -5 ChemAxon iupac (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one ChemAxon average_mass 232.3612 ChemAxon mono_mass 232.18271539 ChemAxon smiles CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C ChemAxon formula C16H24O ChemAxon inchi InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+ ChemAxon inchikey FXCYGAGBPZQRJE-ZHACJKMWSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 75.96 ChemAxon polarizability 28.05 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9313 Specdb::CMs 146789 Specdb::MsMs 65082 Specdb::MsMs 65083 Specdb::MsMs 65084 Specdb::MsMs 122412 Specdb::MsMs 122413 Specdb::MsMs 122414 Specdb::MsMs 2317874 Specdb::MsMs 2317875 Specdb::MsMs 2317876 Specdb::MsMs 2618228 Specdb::MsMs 2618229 Specdb::MsMs 2618230 HMDB29704 #<Reference:0x000055ce325122b8> floral green leather orris tropical waxy weedy woody