Overview
4-tert-Butylcyclohexanone is an organic compound belonging to the cyclohexanone family, characterized by a tert-butyl group at the 4-position. It is primarily synthesized for industrial applications due to its stable cyclic structure and mild odor. The compound serves as a versatile intermediate in fine chemicals, particularly in fragrance and pharmaceutical manufacturing. Its molecular structure combines the reactivity of a ketone with the steric hindrance of the tert-butyl group, making it useful for controlled synthesis. Commercial production typically involves catalytic hydrogenation or oxidation of related precursors, ensuring high purity for end-use requirements.
Physical and Chemical Properties
As a liquid at room temperature, 4-tert-Butylcyclohexanone exhibits low volatility and a camphoraceous scent. Its density (0.91–0.92 g/cm³) and boiling point (220–222°C) reflect moderate molecular weight and non-polarity. The ketone group contributes to solubility in organic solvents like ethanol, while its hydrophobic nature renders it water-insoluble. Chemically, the compound is stable under standard conditions but may react with strong oxidizing agents. The tert-butyl group enhances steric protection, reducing unwanted side reactions during synthesis. Spectroscopic data (IR, NMR) confirm its structure, with key peaks at 1715 cm⁻¹ (C=O stretch) and 1.0 ppm (t-Bu protons).
Main Applications
In the fragrance industry, 4-tert-Butylcyclohexanone acts as a fixative and odor modifier, imparting woody-amber notes to perfumes and soaps. Its stability and low toxicity make it suitable for consumer products. Pharmaceutical manufacturers use it as a building block for steroids and other cyclic therapeutics. Industrially, it serves as a solvent for specialty resins and coatings, leveraging its compatibility with polymers. Recent research explores its potential as a ligand in asymmetric catalysis, though this remains a niche application. Demand is highest in Europe and North America for premium fragrance formulations.
Safety and Storage
Handle 4-tert-Butylcyclohexanone with gloves and eye protection due to its irritant properties. Although not highly toxic, prolonged exposure may cause dizziness or skin dryness. Storage requires sealed containers in well-ventilated areas, away from heat or ignition sources. Spills should be absorbed with inert materials (e.g., sand) and disposed of as hazardous waste. Compatibility tests are recommended before mixing with other chemicals. Regulatory guidelines (e.g., REACH, OSHA) classify it as a flammable liquid (Flash Point: ~100°C), mandating proper labeling during transport.
B2B Procurement Guide
Buyers should prioritize suppliers with ISO 9001 certification and batch-specific COAs (Certificates of Analysis) confirming ≥98% purity. Key parameters to verify include residual solvent levels and enantiomeric purity for pharmaceutical-grade material. Bulk pricing negotiates downward for orders exceeding 100 kg, though regional tariffs may affect costs. Sample testing is advised to assess consistency. Logistics partners must comply with GHS labeling for flammable liquids. Alternative suppliers in China and India often offer competitive rates but may require stricter quality audits.
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