Description

tert-Butyl peroxy-3,5,5-trimethylhexanoate (CAS No. 13122-18-4) is a high-purity organic peroxide with the molecular formula C₁₃H₂₆O₃. This specialized compound, also known by its IUPAC name tert-butyl 3,5,5-trimethylhexaneperoxoate, is widely utilized as a radical initiator in polymerization reactions. Its unique structure provides excellent thermal stability and controlled decomposition kinetics, making it ideal for industrial applications requiring precise initiation conditions. Packaged under strict quality control measures, our product ensures consistent performance in synthesis and material science applications. Available in various quantities to meet both research and production-scale demands.

Properties

• CAS Number: 13122-18-4
• Complexity: 220
• IUPAC Name: tert-butyl 3,5,5-trimethylhexaneperoxoate
• InChI: InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3
• InChI Key: VSJBBIJIXZVVLQ-UHFFFAOYSA-N
• Exact Mass: 230.18819469
• Molecular Formula: C13H26O3
• Molecular Weight: 230.34
• SMILES: CC(CC(=O)OOC(C)(C)C)CC(C)(C)C
• Topological: 35.5
• Monoisotopic Mass: 230.18819469
• Physical Description: This peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures.
• Synonyms: tert-butyl 3,5,5-trimethylhexaneperoxoate, 13122-18-4, tert-Butyl peroxy-3,5,5-trimethylhexanoate, Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester, tert-Butyl 3,5,5-trimethylperoxyhexanoate, 84TC2IY818, TRIGONOX 42, PERBUTYL 355, LUPEROX 270, tert-butyl 3,5,5-trimethylhexanoylperoxide, DTXSID40864365, PEROXYHEXANOIC ACID, 3,5,5-TRIMETHYL-, TERT-BUTYL ESTER, TERT-BUTYL PEROXY-3,5,5-TRIMETHYLHEXANOATE, (TECHNICALLY PURE), TERT-BUTYL PEROXY-3,5,5-TRIMETHYLHEXANOATE, [TECHNICALLY PURE], trigonox 42s, tert-butyl peroxyisononanoate, TRIGONOX 42-50PS, DTXCID90812891, 236-050-7, tert-Butyl perisononanoate, EINECS 236-050-7, SCHEMBL210898, UNII-84TC2IY818, DTXSID00276147, NS00008185, EC 236-050-7, Q27269552, 153302-08-0

Application

tert-Butyl peroxy-3,5,5-trimethylhexanoate is primarily used as a free-radical initiator in the polymerization of ethylene, styrene, and other vinyl monomers. Its moderate decomposition temperature makes it suitable for bulk, suspension, and solution polymerization processes. The compound is also employed in the production of specialty polymers and resins where controlled initiation is critical. Additionally, it finds use in crosslinking reactions for elastomers and plastics.

Safety and Hazards

GHS Hazard Statements

• H242 (54.4%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H315 (54.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (96%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H400 (81.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (30.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (12.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (11.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P234, P235, P240, P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501

Hazard Classes and Categories

• Org. Perox. D (54.4%)
• Skin Irrit. 2 (54.4%)
• Skin Sens. 1 (96%)
• Aquatic Acute 1 (81.6%)
• Aquatic Chronic 1 (30.4%)
• Aquatic Chronic 2 (12.8%)
• Aquatic Chronic 3 (11.2%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.