P-MENTHA-8-THIOL-3-ONE

The CAS register number of 8-Mercaptomenthone is 38462-22-5. It also can be called as 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one and the IUPAC name about this chemical is 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one. The molecular formula about this chemical is C₁₀H₁₈OS and the molecular weight is 186.31. It belongs to the Thiol Flavor.

Physical properties about 8-Mercaptomenthone are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.28; (3)ACD/LogD (pH 7.4): 2.28; (4)ACD/BCF (pH 5.5): 31.97; (5)ACD/BCF (pH 7.4): 31.86; (6)ACD/KOC (pH 5.5): 415.66; (7)ACD/KOC (pH 7.4): 414.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.37Ų; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 53.96 cm³; (13)Molar Volume: 186.7 cm³; (14)Polarizability: 21.39x10^-24cm³; (15)Surface Tension: 34.1 dyne/cm; (16)Enthalpy of Vaporization: 51.14 kJ/mol; (17)Boiling Point: 273.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00585 mmHg at 25°C.

Uses of 8-Mercaptomenthone: it can be used to produce p-menthan-3-one with irradiation. This reaction will need reagent tributylphosφne, triethylborane, triethylphosφte and solvent acetonitrile with reaction time of 36 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is very toxic to aquatic organisms. This material and its container must be disposed of as hazardous waste. When you are using it, please avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(C)CCC1C(S)(C)C
(2)InChI: InChI=1/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
(3)InChIKey: RVOKNSFEAOYULQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
(5)Std. InChIKey: RVOKNSFEAOYULQ-UHFFFAOYSA-N