1.0 2010-04-08 22:15:19 UTC 2025-11-19 02:34:16 UTC FDB020876 Isocyclocitral Listed in the EAFUS Food Additive Database (Jan 2001) 2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde 2,4,6-Trimethyl-D3-tetrahydrobenzaldehyde Isocyclocitral C10H16O 152.2334 152.120115134 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde 1335-66-6 CC1CC(C)=CC(C)C1C=O InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3 YJSUCBQWLKRPDL-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 1.96 ALOGPS logs -1.95 ALOGPS solubility 1.71e+00 g/l ALOGPS logp 2.19 ChemAxon pka_strongest_acidic 17.43 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC1CC(C)=CC(C)C1C=O ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-7-4-8(2)10(6-11)9(3)5-7/h4,6,8-10H,5H2,1-3H3 ChemAxon inchikey YJSUCBQWLKRPDL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 47.42 ChemAxon polarizability 18.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14005 Specdb::CMs 168493 Specdb::MsMs 296923 Specdb::MsMs 296924 Specdb::MsMs 296925 Specdb::MsMs 338308 Specdb::MsMs 338309 Specdb::MsMs 338310 Specdb::MsMs 2369220 Specdb::MsMs 2369221 Specdb::MsMs 2369222 Specdb::MsMs 2566850 Specdb::MsMs 2566851 Specdb::MsMs 2566852 Specdb::NmrOneD 44482 Specdb::NmrOneD 44483 Specdb::NmrOneD 44484 Specdb::NmrOneD 44485 Specdb::NmrOneD 44486 Specdb::NmrOneD 44487 Specdb::NmrOneD 44488 Specdb::NmrOneD 44489 Specdb::NmrOneD 44490 Specdb::NmrOneD 44491 Specdb::NmrOneD 44492 Specdb::NmrOneD 44493 Specdb::NmrOneD 44494 Specdb::NmrOneD 44495 Specdb::NmrOneD 44496 Specdb::NmrOneD 44497 Specdb::NmrOneD 44498 Specdb::NmrOneD 44499 Specdb::NmrOneD 44500 Specdb::NmrOneD 44501 HMDB41013 #<Reference:0x000055ce31cc9de0> aldehydic earthy green herbal leaf woody