In the realm of organic chemistry, intermediates are the unsung heroes, providing the foundational structures for a vast array of complex molecules. Among these, 4-tert-Butylbenzyl Mercaptan, identified by its CAS number 49543-63-7, stands out as a significant player, particularly within the agrochemical sector. This article delves into the detailed chemical profile of this compound, offering insights relevant to chemists, researchers, and procurement specialists.

The basic identifiers for 4-tert-Butylbenzyl Mercaptan are its molecular formula, C11H16S, and its molecular weight, approximately 180.31 g/mol. These fundamental properties are crucial for stoichiometric calculations and reaction planning in synthesis. The compound's physical appearance is consistently described as a colorless clear liquid, a characteristic that aids in visual quality checks during manufacturing and handling.

Key physical parameters provided for 4-tert-Butylbenzyl Mercaptan include its density, recorded at 0.0966 g/mL at 25 °C (lit.), and its boiling point, approximately 102-103 °C at 3.1 mm Hg (lit.). These specifications are vital for process design, especially concerning distillation and purification steps. The flash point is noted as 162 °F, which is an important safety parameter for handling and storage. The refractive index is also specified as n20/D 1.5430 (lit.), providing another point of reference for quality verification.

When considering the practical use of this chemical intermediate, understanding its stability and storage requirements is paramount. 4-tert-Butylbenzyl Mercaptan is noted to be stable under normal temperature and pressure. Recommended storage conditions include keeping it in a tightly closed container, in a cool, dry, and well-ventilated area, away from incompatible substances. Adherence to these guidelines is essential for maintaining product integrity and ensuring safety in laboratory or industrial settings.

The compound’s acidity factor (pKa) is predicted to be 9.83±0.10, which offers insights into its chemical behavior in different pH environments. While primarily recognized for its application in the synthesis of acaricide pyridaben, its chemical structure also suggests potential utility in other areas of organic synthesis where a mercaptan group and a tert-butylbenzyl moiety are desired.

For those seeking to purchase 4-tert-Butylbenzyl Mercaptan, the information regarding purity (typically 97%+) and available packaging (from 5g to 25kg) is invaluable. Sourcing this chemical intermediate from reputable suppliers ensures that the quality standards necessary for its intended applications are met, facilitating successful research and production outcomes.