CAS 4802-20-4

3-Mercapto-β,4-dimethylcyclohexaneethanethiol

Description:

3-Mercapto-β,4-dimethylcyclohexaneethanethiol, with the CAS number 4802-20-4, is an organosulfur compound characterized by the presence of a thiol (-SH) functional group. This compound features a cyclohexane ring substituted with two methyl groups at the β and 4 positions, contributing to its unique structural properties. The thiol group imparts notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and disulfide bond formation. Additionally, thiols are known for their strong, often unpleasant odors, which can influence the compound's sensory characteristics. The presence of the cyclohexane structure may also affect its physical properties, such as boiling point and solubility. In terms of applications, compounds like this can be utilized in organic synthesis, as well as in the development of fragrances and flavorings due to their distinctive aromatic profiles. Safety considerations are important, as thiols can be toxic and irritating, necessitating proper handling and storage protocols.

Formula: C₁₀H₂₀S₂

InChI: InChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3

InChI key: InChIKey=SUNXFMPZAFGPFW-UHFFFAOYSA-N

SMILES: C(CS)(C)C1CC(S)C(C)CC1

Synonyms:

• p-Menthane-2,9-dithiol
• 3-Mercapto-β,4-dimethylcyclohexaneethanethiol
• Dipentenedimercaptan
• Limonene dimercaptan
• Cyclohexaneethanethiol, 3-mercapto-β,4-dimethyl-