Perodox® 42 - tert-Butyl peroxy-3,5,5-trimethylhexanoate

tert-Butyl peroxy-3,5,5-trimethylhexanoate is an organic peroxide compound used primarily as a free radical initiator in polymerization processes. It belongs to the class of peroxy esters and is characterized by its peroxy group (-O-O-) that decomposes to generate radicals under specific conditions.

The CAS registry number for tert-Butyl peroxy-3,5,5-trimethylhexanoate is 13122-18-4. This unique identifier is used internationally to specify this chemical substance.

The IUPAC name for CAS 686-31-7 is 2-methylbutan-2-yl 2-ethylhexaneperoxoate.

The molecular formula is C13H26O4, representing the composition of carbon, hydrogen, and oxygen atoms in the molecule.

The primary application is as a free radical initiator in the polymerization of various monomers including ethylene, vinyl chloride, and styrene to produce polymers like polyethylene, PVC, and polystyrene.

Yes, as an organic peroxide, it is classified as hazardous. It is combustible and may decompose explosively when heated under confinement. Proper safety measures should be followed during handling and storage.

Commercial grade typically has a purity of ≥95%, with the remainder consisting of stabilizers and related compounds.

It should be stored in a cool, well-ventilated area away from heat sources and incompatible materials. Recommended storage temperature is below 25°C in approved containers.

When stored properly, the shelf life is typically 6-12 months from the date of manufacture. Stability decreases with increasing temperature.

Recommended PPE includes chemical-resistant gloves, safety goggles, protective clothing, and in some cases, face protection. Adequate ventilation or respiratory protection may be necessary depending on the application.

The active oxygen content typically ranges between 6.0-6.5%, which is a measure of the available oxygen for free radical generation.

The 10-hour half-life temperature is typically between 85-90°C, meaning it decomposes significantly at these temperatures.

This depends on regional regulations. Generally, residues should be below specified limits. Compliance with relevant food contact regulations must be verified for each application.

It is commonly used for polyethylene, polyvinyl chloride (PVC), polystyrene, and various copolymers including EVA (ethylene-vinyl acetate).

The decomposition rate increases exponentially with temperature according to Arrhenius kinetics. Each 10°C temperature increase typically doubles or triples the decomposition rate.

Common stabilizers include hydroquinone, phenolic compounds, or other free radical inhibitors at concentrations typically between 100-500 ppm to enhance storage stability.

No, it is not soluble in water but is soluble in most organic solvents including hydrocarbons, esters, and ketones.

The flash point is typically above 80°C (PMCC method), classifying it as a combustible liquid.

It is typically shipped in approved containers such as HDPE bottles or stainless steel drums, following regulations for organic peroxides.

For spills, eliminate ignition sources, contain the spill, and use non-combustible absorbents. Avoid shock or friction. Evacuate area and consult with experts for peroxide disposal.

Yes, it can be used in emulsion polymerization systems, often requiring appropriate surfactants and stabilizers for the specific application.

The density at 20°C is typically between 0.92-0.95 g/cm³, which is slightly less than water.

Compared to benzoyl peroxide, tert-Butyl peroxy-3,5,5-trimethylhexanoate has different decomposition characteristics, typically requiring higher temperatures but offering better control in certain processes.

Common methods include gas chromatography (GC) for purity assessment and iodometric titration for active oxygen content determination.

Yes, it is effective as a cross-linking agent for various polymers, improving thermal and mechanical properties through controlled radical generation.

The viscosity at 25°C is typically between 8-12 mPa·s, making it a relatively low-viscosity liquid suitable for various processing applications.

Waste material should be disposed of as hazardous waste according to local regulations, often requiring controlled incineration by licensed facilities.

Concentration varies by application but typically ranges from 0.01% to 1.0% based on monomer weight, optimized for specific process conditions.

It typically has a characteristic, slightly pungent odor common to organic peroxides, though odor should not be used as a safety indicator.

It has moderate thermal stability, decomposing significantly above 70°C. Prolonged exposure to temperatures above 40°C should be avoided during storage.

With proper purification and validation, it can be used for medical polymers, but stringent controls and regulatory compliance are necessary.

The molecular weight is 246.35 g/mol, calculated from its molecular formula C13H26O4.

Oxygen can inhibit free radical polymerization by reacting with initiating and propagating radicals. In many cases, oxygen must be excluded from the system for efficient polymerization.

Compatible containers include high-density polyethylene (HDPE), stainless steel, and glass. Copper, brass, and mild steel should be avoided as they can catalyze decomposition.

The autoignition temperature is typically between 150-200°C, but this can vary with conditions and contaminants.

Distillation is generally not recommended due to the risk of explosive decomposition at elevated temperatures. Alternative purification methods are preferred.

Impurities typically include related peroxides, alcohols, and acids from the manufacturing process, usually at levels below 5% total.

Quality is controlled through raw material specifications, process controls, and testing of final product for parameters like assay, active oxygen content, and impurities.

For eye contact, immediately flush with plenty of water for at least 15 minutes, holding eyelids open. Seek immediate medical attention.

While primarily designed for thermal initiation, it may have limited use in UV-assisted curing when combined with appropriate photosensitizers.

The freezing point is typically below -20°C, but the material may become viscous at low temperatures without actually freezing.

Extreme pH conditions (both high and low) can accelerate decomposition. Neutral conditions are generally recommended for storage and handling.

The vapor pressure is relatively low, typically less than 0.1 mmHg at 20°C, indicating low volatility at room temperature.

While not water-soluble, it can be used in aqueous emulsion or suspension systems with proper surfactants and agitation.

Once opened, containers should be used promptly (typically within 1-3 months) and resealed carefully to minimize air exposure and contamination.

Polymerization rate typically increases with the square root of initiator concentration, following classic free radical polymerization kinetics.

The oxygen balance is negative, meaning it requires external oxygen for complete combustion to CO2 and H2O.

It is primarily used for random copolymer synthesis. For block copolymers, other initiator systems like living radical polymerization may be more appropriate.

The heat of decomposition is significant, typically around 1000-1500 kJ/kg, which contributes to the potential for thermal runaway reactions.

Quality control typically involves gas chromatography for purity, iodometric titration for active oxygen, and various spectroscopic methods for identification.

Small quantities can be diluted with aliphatic solvent and slowly added to a stirred, large volume of reducing agent solution (e.g., sodium sulfite) under controlled conditions, followed by disposal as hazardous waste.

Solvent can affect decomposition rate and radical efficiency. Non-polar solvents typically provide higher radical efficiency than polar solvents due to reduced solvent cage effects.

Moisture content is typically kept below 0.5% to minimize hydrolysis and maintain stability during storage.