1.0 2010-04-08 22:10:58 UTC 2025-11-19 00:38:42 UTC FDB013905 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one Flavouring ingredient (1E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one (E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one 1-(2,6,6-Trimethyl-2-cyclohexene-1-yl)-1-penten-3-one 1-2,6,6-Trimethylcyclohex-2-en-1-yl 1-2,6,6-Trimethylcyclohex-2-en-1-yl;pent-1-en-3-one 1-Methyl-a-ionone 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 5-(2,6,6-Trimethyl-2-cyclohexenyl)-4-penten-3-one 6-Methylionone alpha-Cetone alpha-Methylionone Cetone, alpha- FEMA 2711 Ionone, methyl- Methyl-ionone Methylionone Methylionone, alpha- n-Methyl-a-ionone C14H22O 206.3239 206.167065326 (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one irone 127-42-4 CCC(=O)\C=C\C1C(C)=CCCC1(C)C InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+ VPKMGDRERYMTJX-CMDGGOBGSA-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 logp 4.57 ALOGPS logs -3.85 ALOGPS solubility 2.92e-02 g/l ALOGPS logp 4.02 ChemAxon pka_strongest_basic -5 ChemAxon iupac (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one ChemAxon average_mass 206.3239 ChemAxon mono_mass 206.167065326 ChemAxon smiles CCC(=O)\C=C\C1C(C)=CCCC1(C)C ChemAxon formula C14H22O ChemAxon inchi InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+ ChemAxon inchikey VPKMGDRERYMTJX-CMDGGOBGSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.72 ChemAxon polarizability 25.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26467 Specdb::CMs 165013 Specdb::MsMs 324685 Specdb::MsMs 324686 Specdb::MsMs 324687 Specdb::MsMs 373156 Specdb::MsMs 373157 Specdb::MsMs 373158 Specdb::MsMs 2425423 Specdb::MsMs 2425424 Specdb::MsMs 2425425 Specdb::MsMs 2510386 Specdb::MsMs 2510387 Specdb::MsMs 2510388 Specdb::MsIr 6883 Specdb::MsIr 6884 HMDB35245 #<Reference:0x000055ce31faa2f8> #<Reference:0x000055ce31faa140> #<Reference:0x000055ce31fa9f60> #<Reference:0x000055ce31fa9d58> #<Reference:0x000055ce31fa9ba0> #<Reference:0x000055ce31fa99c0> floral fruity orris powdery sweet violet woody