1.02010-04-08 22:11:15 UTC2019-11-26 03:10:01 UTCFDB014423p-Menth-1-ene-8-thiolPowerful flavour constituent of grapefruit juice detectable at 10?4 ppb (equiv. to 10?4 mg per ton of water). p-Menth-1-ene-8-thiol is found in citrus.1-p-menthen-8-thiol1-p-menthene-8-thiol3-Cyclohexene-1-methanethiol, alpha,alpha,4-trimethyl-4-(1-Mercapto-1-methylethyl)-1-methylcyclohexene8-Mercapto-p-menth-1-enea,a,4-Trimethyl-3-cyclohexene-1-methanethiol, 9CIalpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiolalpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiolFEMA 3700p-1-menthen-8-thiolp-1-menthene-8-thiolP-Menth-1-en-8-thiolC10H18S170.315170.1129212662-(4-methylcyclohex-3-en-1-yl)propane-2-thiolgrapefruit mercaptan71159-90-5CC1=CCC(CC1)C(C)(C)SInChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3ZQPCOAKGRYBBMR-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 compoundsAlkylthiolsHydrocarbon derivativesMonocyclic monoterpenoidsAliphatic homomonocyclic compoundAlkylthiolHydrocarbon derivativeMonocyclic monoterpenoidOrganosulfur compoundP-menthane monoterpenoidlogp4.46logs-3.76solubility2.96e-02 g/llogp3.22pka_strongest_acidic9.96pka_strongest_basic-9.8iupac2-(4-methylcyclohex-3-en-1-yl)propane-2-thiolaverage_mass170.315mono_mass170.112921266smilesCC1=CCC(CC1)C(C)(C)SformulaC10H18SinchiInChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3inchikeyZQPCOAKGRYBBMR-UHFFFAOYSA-Npolar_surface_area0refractivity54.59polarizability20.89rotatable_bond_count1acceptor_count0donor_count1physiological_charge0formal_charge0Specdb::MsIr6961Specdb::MsIr6962Specdb::MsIr6963Specdb::CMs10068Specdb::CMs136047Specdb::CMs143781Specdb::MsMs105888Specdb::MsMs105889Specdb::MsMs105890Specdb::MsMs172506Specdb::MsMs172507Specdb::MsMs172508Specdb::MsMs3044023Specdb::MsMs3044024Specdb::MsMs3044025Specdb::MsMs3100207Specdb::MsMs3100208Specdb::MsMs3100209HMDB35703#<Reference:0x000055567526c1d8>CitrusUnknowngenericaromaticgrapefruitnaphthylresinoussulfurywoody