1.0 2010-04-08 22:09:07 UTC 2025-11-18 23:19:20 UTC FDB010416 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one It is used as a food additive . C13H20O 192.2973 192.151415262 (2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one damascone 35044-68-9 C\C=C\C(=O)C1=C(C)CCCC1(C)C InChI=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-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 4.20 ALOGPS logs -3.20 ALOGPS solubility 1.21e-01 g/l ALOGPS logp 4.04 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E)-1-(2,6,6-trimethylcyclohex-1-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)C1=C(C)CCCC1(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/h5,7H,6,8-9H2,1-4H3/b7-5+ ChemAxon inchikey BGTBFNDXYDYBEY-FNORWQNLSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 61.9 ChemAxon polarizability 23.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2978 Specdb::CMs 149485 Specdb::MsIr 5517 Specdb::MsIr 5518 Specdb::NmrOneD 308611 Specdb::NmrOneD 308612 Specdb::NmrOneD 308613 Specdb::NmrOneD 308614 Specdb::NmrOneD 308615 Specdb::NmrOneD 308616 Specdb::NmrOneD 308617 Specdb::NmrOneD 308618 Specdb::NmrOneD 308619 Specdb::NmrOneD 308620 Specdb::NmrOneD 308621 Specdb::NmrOneD 308622 Specdb::NmrOneD 308623 Specdb::NmrOneD 308624 Specdb::NmrOneD 308625 Specdb::NmrOneD 308626 Specdb::NmrOneD 308627 Specdb::NmrOneD 308628 Specdb::NmrOneD 308629 Specdb::NmrOneD 308630 Specdb::MsMs 68601 Specdb::MsMs 68602 Specdb::MsMs 68603 Specdb::MsMs 126672 Specdb::MsMs 126673 Specdb::MsMs 126674 Specdb::MsMs 2722605 Specdb::MsMs 2722606 Specdb::MsMs 2722607 Specdb::MsMs 2960028 Specdb::MsMs 2960029 Specdb::MsMs 2960030 HMDB0032541 blackcurrant floral fruity honey plum rose tobacco