1.02010-04-08 22:12:26 UTC2018-05-28 19:36:43 UTCFDB016428(S)-Menthone 8-thioacetatePresent in Buchu leaf oil. Flavouring ingredient(+)-trans-8-Mercapto-p-menthan-3-one S-acetate(+)-trans-Menthone 8-thioacetate(1S,4S)-8-Mercapto-p-menthan-3-one S-acetate(1S,4S)-Menthone 8-thioacetate(S)-Menthone 8-thioacetateC12H20O2S228.351228.118400574(2S,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-one(2S,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-one57129-12-1C[C@H]1CC[C@@H](C(=O)C1)C(C)(C)SC(C)=OInChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1AMXPURQVAMENCC-WPRPVWTQSA-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 compoundsCarbothioic S-estersCarboxylic acids and derivativesCyclic ketonesHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesSulfenyl compoundsThioestersAliphatic homomonocyclic compoundCarbonyl groupCarbothioic s-esterCarboxylic acid derivativeCyclic ketoneHydrocarbon derivativeKetoneMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundP-menthane monoterpenoidSulfenyl compoundThiocarboxylic acid esterThiocarboxylic acid or derivativeslogp3.27logs-3.40solubility9.18e-02 g/llogp2.62pka_strongest_basic-6iupac(2S,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-oneaverage_mass228.351mono_mass228.118400574smilesC[C@H]1CC[C@@H](C(=O)C1)C(C)(C)SC(C)=OformulaC12H20O2SinchiInChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m0/s1inchikeyAMXPURQVAMENCC-WPRPVWTQSA-Npolar_surface_area34.14refractivity63.8polarizability25.94rotatable_bond_count3acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs11396Specdb::CMs150098Specdb::MsMs52725Specdb::MsMs52726Specdb::MsMs52727Specdb::MsMs142842Specdb::MsMs142843Specdb::MsMs142844Specdb::MsMs2311298Specdb::MsMs2311299Specdb::MsMs2311300Specdb::MsMs2651786Specdb::MsMs2651787Specdb::MsMs2651788HMDB37386#<Reference:0x000055567560dad0>