1.0 2010-04-08 22:11:16 UTC 2018-05-29 01:11:58 UTC FDB014428 alpha-Cyclocitral A 50:50 mixture with 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde <ht>NFQ78-Y</ht> is used as a flavouring ingredient (*FEMA 3639*) &alpha;-cyclocitral 1-Formyl-2,6,6-trimethyl-2-cyclohexene 2-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- 2,6,6-Trimethyl-2-cyclohexen-1-carboxaldehyde 2,6,6-Trimethyl-2-cyclohexene-1-carbaldehyde 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde 2,6,6-Trimethylcyclohex-2-en-1-carboxaldehyde 2,6,6-Trimethylcyclohex-2-ene-1-carbaldehyde a-Cyclocitral alpha -Cyclocitral Alpha-cyclocitral Filipendulal C10H16O 152.2334 152.120115134 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde 432-24-6 CC1=CCCC(C)(C)C1C=O InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3 ZVZRJSHOOULAGB-UHFFFAOYSA-N belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group. Organic oxides Organic compounds Organic oxygen compounds Organic oxides Aliphatic homomonocyclic compounds Aldehydes Hydrocarbon derivatives Aldehyde Aliphatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organooxygen compound logp 2.84 ALOGPS logs -2.11 ALOGPS solubility 1.17e+00 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_acidic 18.45 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC1=CCCC(C)(C)C1C=O ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3 ChemAxon inchikey ZVZRJSHOOULAGB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 47.34 ChemAxon polarizability 17.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6964 Specdb::MsIr 6965 Specdb::CMs 2801 Specdb::CMs 150685 Specdb::MsMs 51711 Specdb::MsMs 51712 Specdb::MsMs 51713 Specdb::MsMs 162501 Specdb::MsMs 162502 Specdb::MsMs 162503 Specdb::MsMs 2807768 Specdb::MsMs 2807769 Specdb::MsMs 2807770 Specdb::MsMs 2897613 Specdb::MsMs 2897614 Specdb::MsMs 2897615 Specdb::NmrOneD 300145 Specdb::NmrOneD 300146 Specdb::NmrOneD 300147 Specdb::NmrOneD 300148 Specdb::NmrOneD 300149 Specdb::NmrOneD 300150 Specdb::NmrOneD 300151 Specdb::NmrOneD 300152 Specdb::NmrOneD 300153 Specdb::NmrOneD 300154 Specdb::NmrOneD 300155 Specdb::NmrOneD 300156 Specdb::NmrOneD 300157 Specdb::NmrOneD 300158 Specdb::NmrOneD 300159 Specdb::NmrOneD 300160 Specdb::NmrOneD 300161 Specdb::NmrOneD 300162 Specdb::NmrOneD 300163 Specdb::NmrOneD 300164 HMDB35706 #<Reference:0x000055ce31e0abc8>