For professionals in the chemical industry, understanding the fundamental chemistry of the materials they work with is essential. 4-tert-Butylbenzoic Acid (CAS 98-73-7), a key organic synthesis intermediate, boasts a unique molecular structure that dictates its reactivity and broad applicability. NINGBO INNO PHARMCHEM CO.,LTD., as a dedicated manufacturer, offers this compound with detailed chemical specifications to support your research and production needs.

Molecular Structure and Properties

4-tert-Butylbenzoic Acid, with the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol, is characterized by a benzoic acid core with a tert-butyl group attached at the para (4) position of the benzene ring. This specific arrangement imparts several key properties:

  • Acidity: As a carboxylic acid, it exhibits mild acidic properties, allowing it to form salts with bases. The pKa value is approximately 4.38 at 25°C.
  • Solubility: It has limited solubility in water (0.07 g/L at 20°C) but is soluble in many organic solvents, a property crucial for its use in various reaction media.
  • Physical Form: Typically supplied as a colorless needle crystal or crystalline powder, its melting point ranges from 162-165°C.
  • Stability: It is a combustible solid and requires careful storage away from open flames and oxidants. Thermal decomposition may release toxic fumes.

The tert-butyl group provides steric bulk, which can influence reaction pathways and the physical properties of derivatives. This steric hindrance and electronic effect contribute to its utility in specific organic synthesis reactions.

Synthesis and Production Processes

The synthesis of 4-tert-Butylbenzoic Acid typically involves the oxidation of 4-tert-butyltoluene. Common industrial methods often utilize air oxidation in the presence of catalysts or other oxidizing agents. Leading suppliers, such as those found in China, employ optimized processes to ensure high purity (≥99.00%) and consistent yields. Understanding the synthetic routes helps procurement managers evaluate the robustness of a manufacturer's production capabilities and the potential impact on product cost and availability. When you are ready to buy, inquiring about the specific manufacturing process can provide valuable assurance.

Importance as an Organic Intermediate

The chemical structure of 4-tert-Butylbenzoic Acid makes it a valuable building block for a myriad of downstream products. Its carboxylic acid functionality can undergo esterification, amidation, and salt formation, while the aromatic ring can participate in electrophilic aromatic substitution reactions. This versatility makes it indispensable for creating complex molecules used in pharmaceuticals, polymers, resins, and specialty chemicals. For scientists and formulators, having access to detailed chemical information and a reliable supplier is key to successful product development.

By understanding the underlying chemistry of 4-tert-Butylbenzoic Acid, industrial users can better leverage its properties and ensure optimal performance in their applications. Partnering with experienced manufacturers ensures you receive material that meets precise chemical specifications.