Product Introduction
4-tert-Butylcyclohexanone (≥99%) is a high-purity organic synthesis intermediate featuring a sterically hindered cyclohexanone structure. It belongs to the alkyl-substituted cyclohexanone class and serves as a versatile building block for the synthesis of pharmaceuticals, agrochemicals, fragrances, liquid crystal materials, and polymer additives.
With excellent thermal stability and a unique steric configuration, 4-tert-Butylcyclohexanone enables precise control of steric hindrance in downstream synthesis, making it an ideal intermediate for complex organic transformations.
The high-purity product ensures:
- Consistent batch-to-batch quality
- Low impurity profile for sensitive syntheses
- Reliable performance in multi-step organic reactions
Product Details
|
Item |
Specification |
|
Common Name |
4-tert-Butylcyclohexanone |
|
Synonyms |
4-(1,1-Dimethylethyl)cyclohexanone, p-tert-Butylcyclohexanone, 4-t-Butylcyclohexanone |
|
CAS Number |
98-53-3 |
|
Molecular Formula |
C10H18O |
|
Molecular Weight |
154.25 g/mol |
|
EINECS |
202-678-5 |
|
Appearance |
White to off-white crystalline powder |
|
Purity |
≥99% (by HPLC) |
|
Melting Point |
47–50 °C (lit.) |
|
Boiling Point |
113–116 °C at 20 mmHg (lit.) |
|
Density |
0.893 g/cm³ at 25 °C |
|
Flash Point |
96 °C |
|
Storage Condition |
Store in a cool, dry, well-ventilated area, keep sealed |
Chemical Properties & Reactivity
4-tert-Butylcyclohexanone acts as a highly reactive ketone intermediate with a sterically hindered cyclohexanone core. The bulky tert-butyl group at the 4-position imparts unique steric effects that influence reaction selectivity.
Key characteristics:
Sterically hindered ketone → controlled reaction selectivity
Readily undergoes nucleophilic addition, reduction, and condensation reactions
Suitable for asymmetric synthesis and chiral building block preparation
Excellent thermal and chemical stability under standard reaction conditions
Product Features & Benefits
Key Advantages
- High purity (≥99%) – minimizes side reactions in sensitive syntheses
- Consistent quality – batch-to-batch reproducibility
- Versatile reactivity – suitable for multiple downstream transformations
- Excellent solubility – soluble in common organic solvents (ethanol, acetone, ether)
- Steric control – enables selective synthesis of desired isomers
Recommended Applications
- Suitable for multi-step organic synthesis
- Recommended for pharmaceutical and agrochemical intermediate production
- Ideal for fragrance compound synthesis and liquid crystal material preparation
Target Applications
(1)Pharmaceutical Intermediate – Antibacterial Drug Synthesis
Application: Intermediate in the synthesis of antibacterial drug Tribactam
Role: Key building block in multi-step pharmaceutical synthesis
Key Benefits:
- Serves as a critical intermediate for Tribactam production
- High purity ensures minimal byproduct formation in drug synthesis
- Consistent quality supports regulatory compliance
(2)Fragrance & Perfumery – Fixative and Odor Modifier
Application: Perfuming agent in cosmetics, soaps, detergents, and fine fragrances
Odor Profile: Powerful, dry-camphoraceous odor, slightly minty with woody cedar-patchouli-like undertones
Key Benefits:
- Provides powerful "lift" to floral and herbaceous fragrances (Lavender, Rosemary)
- Enhances patchouli notes in modern perfumery
- Widely used as a fixative in long-lasting fragrance formulations
(3)Liquid Crystal Material Intermediate
Application: Intermediate for the synthesis of liquid crystal display (LCD) materials
Role: Building block for advanced electronic display materials
Key Benefits:
- Critical intermediate for high-performance liquid crystal compounds
- Enables precise control of molecular alignment in LCDs
- Supports the production of advanced optoelectronic materials
(4)Agrochemical Intermediate – Pesticide Synthesis
Application: Intermediate for the synthesis of crop protection products
Role: Key starting material for agrochemical active ingredients
Key Benefits:
- Serves as a versatile building block for pesticide synthesis
- Steric hindrance enables selective functionalization
- Supports the development of novel crop protection agents
(5)Polymer & Resin Additive
Application: Additive and intermediate in polymer and resin manufacturing
Role: Improves thermal stability and processing characteristics
Key Benefits:
- Used in the synthesis of specialty polymers and resins
- Enhances material properties through steric modification
- Suitable for high-performance engineering plastics
Packaging & Supply
- 25 kg / 200 kg
- Custom packaging available (1 kg, 5 kg, 10 kg)
- OEM & private label support
- Flexible supply options for R&D and commercial scale
Quality Assurance
Manufactured under strict quality control system
Supported by:
- Full technical data package
- Batch-to-batch consistency
- Stable product with excellent shelf life under proper storage
Frequently Asked Questions (FAQ)
A. What makes 4-tert-Butylcyclohexanone a valuable organic intermediate?
Its high purity (≥99%) combined with a sterically hindered ketone structure enables controlled, selective reactions in multi-step organic syntheses, minimizing side products and improving overall yields.
B. What are the main industrial applications of this intermediate?
It is widely used in:
- Pharmaceutical synthesis (e.g., Tribactam antibacterial drug)
- Fragrance and perfumery industry
- Liquid crystal material production for electronic displays
- Agrochemical intermediate synthesis
- Polymer and specialty resin manufacturing
C. How is 4-tert-Butylcyclohexanone typically synthesized?
It is commonly synthesized via Friedel-Crafts alkylation of phenol followed by catalytic hydrogenation to the corresponding cyclohexanol, then oxidation to the ketone. Alternative routes include oxidation of 4-tert-butylcyclohexanol using N-chlorosuccinimide.
D. What are the key quality parameters for this intermediate?
Key parameters include:
- Purity ≥99% by HPLC
- Moisture content ≤0.5%
- Melting point 47–50 °C
- Appearance: white to off-white crystalline powder
E. How should this product be stored and handled?
Store in tightly sealed containers in a cool, dry, well-ventilated area, away from strong oxidizing agents. Keep container tightly closed when not in use.
F. Is this product suitable for GMP pharmaceutical applications?
Yes. With ≥99% purity and strict quality control, it is suitable for pharmaceutical intermediate applications. We provide full technical documentation to support regulatory compliance.
G. Do you support custom packaging and R&D quantities?
Yes. We offer:
- R&D quantities (1 kg, 5 kg)
- Commercial packaging (25 kg, 200 kg drums)
- Custom packaging upon request
- Technical support for process development
H. What is the typical shelf life?
Two years when stored under recommended conditions (cool, dry, sealed container).
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