1.02010-04-08 22:09:07 UTC2018-05-28 23:27:55 UTCFDB0104164-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-oneIt is used as a food additive .C13H20O192.2973192.151415262(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-onedamascone35044-68-9C\C=C\C(=O)C1=C(C)CCCC1(C)CInChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+BGTBFNDXYDYBEY-FNORWQNLSA-Nlogp4.20logs-3.20solubility1.21e-01 g/llogp4.04pka_strongest_basic-4.3iupac(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-oneaverage_mass192.2973mono_mass192.151415262smilesC\C=C\C(=O)C1=C(C)CCCC1(C)CformulaC13H20OinchiInChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+inchikeyBGTBFNDXYDYBEY-FNORWQNLSA-Npolar_surface_area17.07refractivity61.9polarizability23.32rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs2978Specdb::CMs149485Specdb::MsIr5517Specdb::MsIr5518Specdb::NmrOneD308611Specdb::NmrOneD308612Specdb::NmrOneD308613Specdb::NmrOneD308614Specdb::NmrOneD308615Specdb::NmrOneD308616Specdb::NmrOneD308617Specdb::NmrOneD308618Specdb::NmrOneD308619Specdb::NmrOneD308620Specdb::NmrOneD308621Specdb::NmrOneD308622Specdb::NmrOneD308623Specdb::NmrOneD308624Specdb::NmrOneD308625Specdb::NmrOneD308626Specdb::NmrOneD308627Specdb::NmrOneD308628Specdb::NmrOneD308629Specdb::NmrOneD308630Specdb::MsMs68601Specdb::MsMs68602Specdb::MsMs68603Specdb::MsMs126672Specdb::MsMs126673Specdb::MsMs126674Specdb::MsMs2722605Specdb::MsMs2722606Specdb::MsMs2722607Specdb::MsMs2960028Specdb::MsMs2960029Specdb::MsMs2960030blackcurrantfloralfruityhoneyplumrosetobacco