1.0 2010-04-08 22:05:13 UTC 2015-07-20 21:43:03 UTC FDB002076 Limonene aldehyde Flavouring ingredient 3-(4-Methylcyclohex-3-en-1-yl)butyraldehyde 3-Cyclohexene-1-propanal, beta,4-dimethyl- b,4-Dimethyl-3-cyclohexene-1-propanal, 9CI beta,4-Dimethyl-3-cyclohexene-1-propanal beta,4-Dimethylcyclohex-3-ene-1-propan-1-al Limonene aldehyde C11H18O 166.26 166.135765198 3-(4-methylcyclohex-3-en-1-yl)butanal 3-(4-methylcyclohex-3-en-1-yl)butanal 6784-13-0 CC(CC=O)C1CCC(C)=CC1 InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3 VJYFMQREUJXCQV-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Aldehyde Aliphatic homomonocyclic compound Alpha-hydrogen aldehyde Carbonyl group Hydrocarbon derivative Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.24 ALOGPS logs -2.97 ALOGPS solubility 1.78e-01 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_acidic 15.9 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-(4-methylcyclohex-3-en-1-yl)butanal ChemAxon average_mass 166.26 ChemAxon mono_mass 166.135765198 ChemAxon smiles CC(CC=O)C1CCC(C)=CC1 ChemAxon formula C11H18O ChemAxon inchi InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3 ChemAxon inchikey VJYFMQREUJXCQV-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 52.04 ChemAxon polarizability 20.21 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23383 Specdb::CMs 163187 Specdb::MsMs 63573 Specdb::MsMs 63574 Specdb::MsMs 63575 Specdb::MsMs 120540 Specdb::MsMs 120541 Specdb::MsMs 120542 Specdb::MsMs 2323099 Specdb::MsMs 2323100 Specdb::MsMs 2323101 Specdb::MsMs 2616324 Specdb::MsMs 2616325 Specdb::MsMs 2616326 HMDB30252 #<Reference:0x000055ce31e37ce0> sandalwood sweet