1.0 2010-04-08 22:11:17 UTC 2018-05-28 19:24:04 UTC FDB014463 (±)-trans,trans-delta-Damascone Food flavouring and perfumery ingredient (2E)-1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one, 9CI; (±)-trans,trans-form 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- 8-Damascone Damascone, delta- Delta-damascone C13H20O 192.2973 192.151415262 (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one 57378-68-4 C\C=C\C(=O)C1C(C)C=CCC1(C)C InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+ XEJGJTYRUWUFFD-FNORWQNLSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 3.95 ALOGPS logs -4.05 ALOGPS solubility 1.73e-02 g/l ALOGPS logp 3.87 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one ChemAxon average_mass 192.2973 ChemAxon mono_mass 192.151415262 ChemAxon smiles C\C=C\C(=O)C1C(C)C=CCC1(C)C ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+ ChemAxon inchikey XEJGJTYRUWUFFD-FNORWQNLSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 62.41 ChemAxon polarizability 23.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21398 Specdb::CMs 152045 Specdb::MsMs 78723 Specdb::MsMs 78724 Specdb::MsMs 78725 Specdb::MsMs 139155 Specdb::MsMs 139156 Specdb::MsMs 139157 Specdb::MsMs 2762467 Specdb::MsMs 2762468 Specdb::MsMs 2762469 Specdb::MsMs 2946450 Specdb::MsMs 2946451 Specdb::MsMs 2946452 HMDB35682 #<Reference:0x000055ce331b9408> blackcurrant cassis fruity natural petal rose sweet