Introduction
1,1,3,3-Tetramethylbutyl peroxyneodecanoate (CAS 51240-95-0), also known as tert-octyl peroxyneodecanoate or initiator TOPND, is a high-performance organic peroxide widely used in polymer manufacturing. With the chemical formula C₁₈H₃₄O₄ and a molecular weight of 314.46 g/mol, this compound serves as a critical initiator for synthesizing polymers like PVC, LDPE, ABS, and PMMA. Its unique structure balances reactivity and stability, making it indispensable in industrial chemistry. As the global polymer market expands—projected to grow at a CAGR of 6.8% through 2025—demand for efficient initiators like this peroxide is surging.
1 Chemical and Physical Properties
1.1 Structural and Basic Characteristics
Molecular Formula: C₁₈H₃₄O₄
Molecular Weight: 314.46 g/mol
Appearance: Colorless to pale yellow oily liquid with a strong peroxide odor.
Density: 0.857 g/cm³ at 20°C.
Solubility: Low water solubility (33.6 μg/L at 20°C), but miscible with organic solvents like alkanes and ethers.
1.2 Thermal and Reactive Behavior
Decomposition: Releases radicals at specific temperatures, with half-lives of 0.1 hr at 76°C, 1 hr at 57°C, and 10 hr at 40°C.
Vapor Pressure: 0.01 Pa at 25°C, indicating low volatility.
Critical Safety Thresholds:
SADT (Self-Accelerating Decomposition Temperature): 15°C
Emergency Temperature (Tem): 5°C.
Table: Key Physical Properties of CAS 51240-95-0
Property Value Conditions
Molecular Weight 314.46 g/mol -
Density 0.857 g/cm³ 20°C
Water Solubility 33.6 μg/L 20°C
Vapor Pressure 0.01 Pa 25°C
Half-Life 0.1 hours 76°C
2 Industrial Applications
2.1 Polymerization Initiator
This peroxide is a cornerstone in free-radical polymerization for producing:
PVC (Polyvinyl Chloride): Enables low-temperature suspension polymerization, reducing energy costs.
LDPE (Low-Density Polyethylene): Facilitates high-pressure autoclave processes.
ABS (Acrylonitrile Butadiene Styrene) & PMMA (Polymethyl Methacrylate): Optimizes reaction kinetics when combined with co-initiators like 1,1-di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane.
2.2 Specialty Chemical Synthesis
Oxidation Reactions: Used to oxidize electrophilic bromine atoms in synthesizing aldehydes, ketones, and amino acids without metal catalysts.
Crosslinking Agent: Enhances heat resistance and mechanical strength in rubber and elastomers.
3 Synthesis and Manufacturing
3.1 Production Process
A low-waste, four-step method minimizes environmental impact:
Reaction of 1,1,3,3-Tetramethylbutyl Hydroperoxide with NaOH:
Temperature: 5–15°C
Molar Ratio: 1.2–2:1 (hydroperoxide to NaOH).
Acylation with Neodecanoyl Chloride:
Temperature: -3–0°C
Molar Ratio: 1.2–2:1 (hydroperoxide to acyl chloride).
Purification: Sequential washing with NaOH, brine, and sulfite solutions to reduce COD (Chemical Oxygen Demand) in wastewater by >30%.
Formulation: Dissolution in solvents like petroleum ether or octane to stabilize the peroxide (typically 70% concentration).
3.2 Environmental Innovations
Waste Reduction: Advanced washing techniques cut COD levels, lowering wastewater treatment costs.
Solvent Selection: Use of low-toxicity solvents like octane aligns with REACH and EPA green chemistry guidelines.
4 Handling and Safety Protocols
4.1 Hazard Mitigation
GHS Hazard Codes: H242 (heating may cause fire), H360 (reproductive toxicity), H315 (skin irritation).
Storage: Require refrigeration at ≤-15°C and isolation from acids, flammables, and reductants.
4.2 Operational Safeguards
Packaging: 20–25 kg polyethylene containers to prevent impact or static ignition.
Emergency Measures:
Fire: Use fog nozzles or alcohol-resistant foam; DO NOT use water jets.
Leaks: Contain with inert absorbents (e.g., sand) in ventilated areas.
Table: Safety Parameters for Storage and Handling
Parameter Value Significance
Storage Temperature ≤ -15°C Prevents decomposition
SADT 15°C Critical auto-decomposition
Packaging 25 kg PE containers Minimizes rupture risk
5 Market Analysis and Suppliers
5.1 Industry Growth Drivers
Market Size: China’s organic peroxide sector hit ¥18.5B (USD $2.55B) in 2023, with 6.8% CAGR projected through 2025.
Demand Surge: Driven by PVC (45% market share) and rubber industries (35%) for automotive and construction materials.
6 Future Trends and Innovations
6.1 Technological Advancements
Hybrid Initiators: Combining with peroxydicarbonates (e.g., di-4-tert-butylcyclohexyl peroxydicarbonate) to enhance polymerization efficiency.
Water-Based Formulations: Development of aqueous suspensions (e.g., LPO-40W) for safer handling.
6.2 Sustainability Initiatives
Green Manufacturing: Adoption of closed-loop systems to recycle solvents and reduce COD emissions.
Regulatory Compliance: Alignment with China’s 2023 Guidelines for Green Chemical Production targeting 95% wastewater treatment rates.
7 Frequently Asked Questions (FAQs)
What is the primary use of CAS 51240-95-0?
It’s a high-efficiency initiator for PVC, LDPE, and ABS polymerization.
How should this peroxide be stored?
At ≤-15°C in explosion-proof facilities, away from reductants and acids.
Which industries dominate demand?
Plastics (45%) and rubber (35%), especially for automotive parts and packaging.
Is it environmentally hazardous?
Yes, but advanced synthesis methods reduce wastewater COD by 30%.
Conclusion
CAS 51240-95-0 is a pivotal chemical bridging efficiency and innovation in polymer manufacturing. With its optimized synthesis, stringent safety protocols, and alignment with circular economy principles, this peroxide will remain essential as industries prioritize sustainable, high-performance materials. For suppliers and manufacturers, investing in purification technologies and eco-friendly formulations will unlock new opportunities in the rapidly expanding polymer market.
Key Takeaway: As global demand for polymers grows, CAS 51240-95-0’s role in enabling energy-efficient, low-waste production will make it a linchpin of green industrial chemistry.