1.0 2010-04-08 22:08:47 UTC 2025-11-18 23:17:25 UTC FDB009776 p-Menth-1-ene-9-al P-menth-1-ene-9-al, also known as alpha,4-dimethyl-3-cyclohexene-1-acetaldehyde, 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-menth-1-ene-9-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-menth-1-ene-9-al is a herbal and spicy tasting compound found in wild celery, which makes P-menth-1-ene-9-al a potential biomarker for the consumption of this food product. α,4-Dimethyl-3-cyclohexen-1-acetaldehyde α,4-Dimethyl-3-cyclohexene-1-acetaldehyde 1-p-Menthen-9-al 1-p-Menthene-9-al 2-(4-Methyl-3-cyclohexen-1-yl)propanal 4-Isopropyl-alpha-methylcyclohexene-1-propan-1-al Carvomenthenal p-Menth-1-en-9-al p-Menth-1-en-9-al (Isomer 1) p-Menth-1-en-9-al (Isomer 2) C10H16O 152.2334 152.120115134 2-(4-methylcyclohex-3-en-1-yl)propanal 2-(4-methylcyclohex-3-en-1-yl)propanal 29548-14-9 CC(C=O)C1CCC(C)=CC1 InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3 UMEJBWOWZDRULR-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 aldehyde monoterpenoid logp 2.80 ALOGPS logs -2.39 ALOGPS solubility 6.20e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_acidic 16.14 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propanal ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC(C=O)C1CCC(C)=CC1 ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3 ChemAxon inchikey UMEJBWOWZDRULR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 47.47 ChemAxon polarizability 18.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79521 Specdb::MsMs 79522 Specdb::MsMs 79523 Specdb::MsMs 140148 Specdb::MsMs 140149 Specdb::MsMs 140150 Specdb::MsMs 3223777 Specdb::MsMs 3223778 Specdb::MsMs 3223779 Specdb::MsMs 3223780 Specdb::MsMs 3223781 Specdb::MsMs 3223782 Specdb::CMs 33517 Specdb::CMs 173496 HMDB0059885 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Wild celery Type 1 specific Apium graveolens 4045 herbal spicy