1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:10:01 UTC FDB014423 p-Menth-1-ene-8-thiol Powerful 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-thiol 1-p-menthene-8-thiol 3-Cyclohexene-1-methanethiol, alpha,alpha,4-trimethyl- 4-(1-Mercapto-1-methylethyl)-1-methylcyclohexene 8-Mercapto-p-menth-1-ene a,a,4-Trimethyl-3-cyclohexene-1-methanethiol, 9CI alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiol alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol FEMA 3700 p-1-menthen-8-thiol p-1-menthene-8-thiol P-Menth-1-en-8-thiol C10H18S 170.315 170.112921266 2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol grapefruit mercaptan 71159-90-5 CC1=CCC(CC1)C(C)(C)S InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 ZQPCOAKGRYBBMR-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 Alkylthiols Hydrocarbon derivatives Monocyclic monoterpenoids Aliphatic homomonocyclic compound Alkylthiol Hydrocarbon derivative Monocyclic monoterpenoid Organosulfur compound P-menthane monoterpenoid logp 4.46 ALOGPS logs -3.76 ALOGPS solubility 2.96e-02 g/l ALOGPS logp 3.22 ChemAxon pka_strongest_acidic 9.96 ChemAxon pka_strongest_basic -9.8 ChemAxon iupac 2-(4-methylcyclohex-3-en-1-yl)propane-2-thiol ChemAxon average_mass 170.315 ChemAxon mono_mass 170.112921266 ChemAxon smiles CC1=CCC(CC1)C(C)(C)S ChemAxon formula C10H18S ChemAxon inchi InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 ChemAxon inchikey ZQPCOAKGRYBBMR-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 54.59 ChemAxon polarizability 20.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6961 Specdb::MsIr 6962 Specdb::MsIr 6963 Specdb::CMs 10068 Specdb::CMs 136047 Specdb::CMs 143781 Specdb::MsMs 105888 Specdb::MsMs 105889 Specdb::MsMs 105890 Specdb::MsMs 172506 Specdb::MsMs 172507 Specdb::MsMs 172508 Specdb::MsMs 3044023 Specdb::MsMs 3044024 Specdb::MsMs 3044025 Specdb::MsMs 3100207 Specdb::MsMs 3100208 Specdb::MsMs 3100209 HMDB35703 #<Reference:0x00005612731b1648> Citrus Unknown generic aromatic grapefruit naphthyl resinous sulfury woody