Perodox® 117 - tert-Butylperoxy 2-ethylhexyl carbonate

tert-Butylperoxy 2-ethylhexyl carbonate (CAS 34443-12-4) is an organic peroxide compound that functions as a free radical initiator in polymerization reactions. It is chemically classified as a peroxycarbonate ester with the molecular formula C13H26O5 and molecular weight of 262.35 g/mol.

The CAS 34443-12-4 registry number is a unique numerical identifier assigned by the Chemical Abstracts Service (CAS) to tert-Butylperoxy 2-ethylhexyl carbonate. This identifier is used globally in chemical databases, regulatory documentation, safety data sheets, and scientific literature to uniquely identify this specific chemical compound.

The molecular formula is C13H26O5, representing 13 carbon atoms, 26 hydrogen atoms, and 5 oxygen atoms per molecule.

The IUPAC name is 2-ethylhexyl tert-butylperoxy carbonate.

Alternative names include: tert-Butyl peroxy-2-ethylhexyl carbonate; Peroxycarbonic acid, 1,1-dimethylethyl 2-ethylhexyl ester; TBEC (common abbreviation); and various trade names from manufacturers.

The molecular weight is 262.35 g/mol.

What is the appearance and physical state of CAS 34443-12-4 at room temperature?

At room temperature, it typically appears as a clear, colorless to pale yellow liquid with a mild characteristic odor.

The density is approximately 0.92-0.96 g/cm³ at 20°C.

The compound decomposes before boiling. It begins thermal decomposition at approximately 80-100°C.

The flash point is typically above 70°C (158°F) as measured by closed-cup methods.

The active oxygen content typically ranges from 5.8% to 6.2% by weight.

The 10-hour half-life temperature is approximately 80°C (176°F).

It is miscible with most organic solvents (hydrocarbons, chlorinated solvents, esters, ketones), partially soluble in alcohols, and insoluble in water.

Commercial purity is typically 95-98%, with the remainder consisting of related peroxides, decomposition products, and stabilizers.

Methods include HPLC, GC, iodometric titration (ASTM E298), DSC, FTIR, NMR, Karl Fischer titration, and accelerated rate calorimetry.

Primary applications include: free-radical polymerization initiator for ethylene, propylene, styrene; crosslinking agent for polyethylene and EPDM rubber; polymer property modifier; curing agent for unsaturated polyester resins; and reagent in organic synthesis.

It thermally decomposes to generate free radicals that initiate chain-growth polymerization, with controlled decomposition kinetics suitable for processes like LDPE production.

Polymers include LDPE, polystyrene, PVC, polyvinyl acetate, polyacrylates, polymethacrylates, and various copolymers.

Generated free radicals abstract hydrogen atoms from polymer chains, creating polymer radicals that combine to form carbon-carbon crosslinks, improving thermal stability and mechanical properties.

Advantages include: liquid state at room temperature, high active oxygen content, controlled decomposition kinetics, good solubility, lower volatility, and favorable safety profile.

In LDPE production, it is used as a free-radical initiator in high-pressure tubular or autoclave processes at 150-300°C and 1500-3000 bar pressures, typically at 50-500 ppm concentrations.

Parameters include molecular weight, molecular weight distribution, melt flow index, degree of branching, polymerization rate, copolymer composition, and crosslink density.

Initiator efficiency typically ranges from 0.4 to 0.7 (40-70% of generated radicals successfully initiate polymer chains).

It offers intermediate decomposition temperature, liquid state at room temperature, good solubility, lower volatility, and favorable combination of reactivity and handling safety compared to alternatives.

Key considerations include: thermal instability, self-accelerating decomposition potential, incompatibility with strong acids/bases/reducing agents/metals, explosive decomposition risk, irritant properties, and need for proper PPE and ventilation.

Required PPE includes chemical-resistant gloves, safety goggles, chemical-resistant protective clothing, closed-toe shoes, and appropriate respiratory protection when needed.

Store at or below 25°C, protected from sunlight and heat, in original containers, segregated from incompatible materials, with adequate ventilation and spill containment.

Shelf life is typically 6-12 months at ≤25°C, extendable to 12-18 months with refrigeration (0-10°C).

For inhalation: move to fresh air; skin contact: wash thoroughly with soap and water; eye contact: flush with water for 15 minutes; ingestion: do NOT induce vomiting, seek immediate medical attention.

SADT is typically 40-50°C for commercial products in shipping packages.

Thermal decomposition follows first-order radical pathway: homolytic cleavage of O-O bond generates tert-butoxyl and 2-ethylhexyl carbonate radicals, which further decompose to acetone, carbon dioxide, and other products.

Factors include temperature, concentration, solvent environment, presence of contaminants (acids, bases, metals), light exposure, physical state, and container materials.

Primary products include acetone, carbon dioxide, 2-ethylhexanol, methane, ethane, tert-butanol, and various esters, ethers, and ketones.

Typically classified with H241 (heating may cause fire/explosion), H242 (heating may cause fire), H315 (skin irritation), H319 (eye irritation), H335 (respiratory irritation), H411 (toxic to aquatic life).

Transported as UN3105 (Organic peroxide type D, liquid), hazard class 5.2, packing group II, complying with IMDG, IATA/ICAO, ADR/RID, and 49 CFR regulations.

Subject to REACH registration requirements in EU, typically registered for >100 tonnes/year production. Not currently on Authorization List or SVHC Candidate List.

Requirements include Hazard Communication Standard compliance, engineering/administrative controls, appropriate PPE, exposure limits, emergency response planning, and possible Process Safety Management requirements.

Classified as hazardous to aquatic environment, potential TRI reporting, RCRA hazardous waste designation (D001, D003), spill reporting under CERCLA, and compliance with water discharge limitations.

Typically synthesized by reacting tert-butyl hydroperoxide with 2-ethylhexyl chloroformate in presence of base, or via phosgene route, with strict temperature control and multiple purification steps.

Key materials include tert-butyl hydroperoxide, 2-ethylhexanol, phosgene or chloroformates, bases (NaOH, pyridine), solvents, stabilizers, and inert gases.

Tests include purity (HPLC/GC), active oxygen content, water content, acidity/alkalinity, density, refractive index, color, identity confirmation (FTIR/NMR), thermal stability, and impurity profiling.

Major manufacturers include United Initiators, Arkema, Nouryon, Pergan GmbH, NOF Corporation, Chinasun Specialty Products, and several Chinese manufacturers.

Estimated at 5,000-8,000 metric tons annually, distributed approximately 40% Europe, 40% Asia, 20% North America, with 70-90% utilization and 2-4% annual growth.

Grades include technical (90-95%), high purity (≥97%), stabilized formulations, diluted forms in solvents, custom blends, food contact grades, low-water grades, and analytical standards.

Trade names include Luperox TBEC (Arkema), Trigonox 117 (Nouryon), Perodox 16 (Do Sender Chem), TBEC (generic), and various manufacturer-specific designations.

Options include HDPE containers (1-25 kg), drums (50-200 kg), IBCs (200-1000 kg), ISO tanks (20,000 kg), with specialized safety features and UN-compliant labeling.

Please contact our sales team for further details.

Please contact our sales team for further details.

Moderately toxic (oral LD50 rat: ~500-2000 mg/kg), skin/eye/respiratory irritant, potential sensitizer. Environmentally: readily biodegradable (60-90% in 28 days), toxic to aquatic life (LC50 fish: 1-10 mg/L), low bioaccumulation potential (log Kow ~3-4).