1.02010-04-08 22:06:37 UTC2019-11-26 03:00:29 UTCFDB005304p-Mentha-1,3-dien-7-alP-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-alterpinen-7-alC10H14O150.2176150.104465074-(propan-2-yl)cyclohexa-1,3-diene-1-carbaldehyde4-isopropylcyclohexa-1,3-diene-1-carbaldehyde1197-15-5CC(C)C1=CC=C(CC1)C=OInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3MKVBITWQDIIUMF-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 monoterpenoidlogp2.99logs-2.18solubility9.83e-01 g/llogp2.19pka_strongest_basic-4.3iupac4-(propan-2-yl)cyclohexa-1,3-diene-1-carbaldehydeaverage_mass150.2176mono_mass150.10446507smilesCC(C)C1=CC=C(CC1)C=OformulaC10H14OinchiInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3inchikeyMKVBITWQDIIUMF-UHFFFAOYSA-Npolar_surface_area17.07refractivity48.34polarizability17.66rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs68169Specdb::MsMs68170Specdb::MsMs68171Specdb::MsMs126144Specdb::MsMs126145Specdb::MsMs126146Specdb::MsMs3601637Specdb::MsMs3601638Specdb::MsMs3601639Specdb::MsMs3601640Specdb::MsMs3601641Specdb::MsMs3601642CuminType 1specificCuminum cyminum52462394.5394.5394.5mg/100 gfatfattyspicespicy