1.0 2010-04-08 22:06:37 UTC 2025-11-18 22:58:51 UTC FDB005304 p-Mentha-1,3-dien-7-al P-mentha-1,3-dien-7-al is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids 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. P-mentha-1,3-dien-7-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). P-mentha-1,3-dien-7-al is a fat, fatty, and spice tasting compound found in cumin, which makes P-mentha-1,3-dien-7-al a potential biomarker for the consumption of this food product. 1,3-p-menthadien-7-al terpinen-7-al C10H14O 150.2176 150.10446507 4-(propan-2-yl)cyclohexa-1,3-diene-1-carbaldehyde 4-isopropylcyclohexa-1,3-diene-1-carbaldehyde 1197-15-5 CC(C)C1=CC=C(CC1)C=O InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3 MKVBITWQDIIUMF-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 Aldehydes Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Aldehyde Aliphatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 2.99 ALOGPS logs -2.18 ALOGPS solubility 9.83e-01 g/l ALOGPS logp 2.19 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4-(propan-2-yl)cyclohexa-1,3-diene-1-carbaldehyde ChemAxon average_mass 150.2176 ChemAxon mono_mass 150.10446507 ChemAxon smiles CC(C)C1=CC=C(CC1)C=O ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3 ChemAxon inchikey MKVBITWQDIIUMF-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 48.34 ChemAxon polarizability 17.66 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 68169 Specdb::MsMs 68170 Specdb::MsMs 68171 Specdb::MsMs 126144 Specdb::MsMs 126145 Specdb::MsMs 126146 Specdb::MsMs 3601637 Specdb::MsMs 3601638 Specdb::MsMs 3601639 Specdb::MsMs 3601640 Specdb::MsMs 3601641 Specdb::MsMs 3601642 Cumin Type 1 specific Cuminum cyminum 52462 394.5 394.5 394.5 mg/100 g fat fatty spice spicy