60260-87-9

Basic information

• Product Name: 4-methylcyclohexanethiol
• Synonyms: 4-methylcyclohexanethiol
• CAS NO: 60260-87-9
• Molecular Weight: 130.254
• Mol File: 60260-87-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-methylcyclohexanethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methylcyclohexanethiol(60260-87-9)
• EPA Substance Registry System: 4-methylcyclohexanethiol(60260-87-9)

Safety Data

• Hazardous Substances Data: 60260-87-9(Hazardous Substances Data)

Upstream product

• 589-91-3 p-methylcyclohexanol 
• 507-09-5 tiolacetic acid 
• 589-92-4 1-methylcyclohexan-4-one 

Downstream Products

• 104177-65-3 <4-Methyl-cyclohexyl-mercapto>-bernsteinsaeure 
• 60260-77-7 (cis-4-methylcyclohexyl)methyl sulfone 
• 60260-85-7 trans-4-Methyl-cyclohexyl-methylsulfon 
• 60260-76-6 (cis-4-methylcyclohexyl)methyl sulfoxide 
• 60260-84-6 trans-4-Methyl-cyclohexyl-methylsulfoxid 
• 60260-83-5 trans-4-Methyl-cyclohexyl-methylsulfid 
• 60260-75-5 (cis-4-methylcyclohexyl)methyl sulfide 

Relevant articles and documents

Experimental determination of the conformational free energies (A values) of fluorinated substituents in cyclohexane by dynamic 19F NMR spectroscopy. Part 2. Extension to fluoromethyl, difluoromethyl, pentafluoroethyl, trifluoromethylthio and trifluoromethoxy groups

The synthesis of monosubstituted and 1,4-substituted cyclohexanes bearing one of the title groups is described. The conformational analysis of these compounds was studied by 19F NMR spectroscopy at various temperatures. Chemical shifts for each conformer above the coalescence temperature were obtained by binomial regression from low temperature values, allowing the high precision determination of the equilibrium constants, and the corresponding thermodynamic parameters (ΔG°, ΔH°, ΔS°) of the fluorinated substituents. For A values (-ΔG°298K), the following averaged data were obtained: 1.59 (CFH2), 1.85 (CF2H), 2.67 (C2F5), 0.79 (OCF3) and 1.18 (SCF3) [in kcal mol-1]. the Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2006.