1.02010-04-08 22:08:47 UTC2019-11-26 03:03:32 UTCFDB009776p-Menth-1-ene-9-alP-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-acetaldehydeα,4-Dimethyl-3-cyclohexene-1-acetaldehyde1-p-Menthen-9-al1-p-Menthene-9-al2-(4-Methyl-3-cyclohexen-1-yl)propanal4-Isopropyl-alpha-methylcyclohexene-1-propan-1-alCarvomenthenalp-Menth-1-en-9-alp-Menth-1-en-9-al (Isomer 1)p-Menth-1-en-9-al (Isomer 2)C10H16O152.2334152.1201151342-(4-methylcyclohex-3-en-1-yl)propanal2-(4-methylcyclohex-3-en-1-yl)propanal29548-14-9CC(C=O)C1CCC(C)=CC1InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3UMEJBWOWZDRULR-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 monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsAldehydesHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesAldehydeAliphatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidaldehydemonoterpenoidlogp2.80logs-2.39solubility6.20e-01 g/llogp2.34pka_strongest_acidic16.14pka_strongest_basic-7iupac2-(4-methylcyclohex-3-en-1-yl)propanalaverage_mass152.2334mono_mass152.120115134smilesCC(C=O)C1CCC(C)=CC1formulaC10H16OinchiInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3inchikeyUMEJBWOWZDRULR-UHFFFAOYSA-Npolar_surface_area17.07refractivity47.47polarizability18.35rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs33517Specdb::CMs173496Specdb::MsMs79521Specdb::MsMs79522Specdb::MsMs79523Specdb::MsMs140148Specdb::MsMs140149Specdb::MsMs140150Specdb::MsMs3223777Specdb::MsMs3223778Specdb::MsMs3223779Specdb::MsMs3223780Specdb::MsMs3223781Specdb::MsMs3223782BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusWild celeryType 1specificApium graveolens4045herbalspicy