Description

tert-Butyl peroxyneodecanoate (CAS No. 26748-41-4) is a high-performance organic peroxide widely used as a radical initiator in polymerization reactions. With the molecular formula C₁₄H₂₈O₃, this compound is valued for its efficiency in initiating free-radical processes, particularly in the production of polymers such as polyethylene, polystyrene, and PVC. Its tert-butyl peroxy group ensures excellent thermal stability and controlled decomposition kinetics, making it ideal for industrial applications requiring precise reaction control. Available under various trade names including LUPEROX 10, ESPEROX 33, and TRIGONOX 23, this reagent is supplied as a clear liquid with high purity (>98%) to ensure consistent performance. Proper storage at recommended temperatures and handling under inert conditions are critical to maintaining its efficacy and safety.

Properties

• CAS Number: 26748-41-4
• Complexity: 226
• IUPAC Name: tert-butyl 2,2-dimethyloctaneperoxoate
• InChI: InChI=1S/C14H28O3/c1-7-8-9-10-11-14(5,6)12(15)16-17-13(2,3)4/h7-11H2,1-6H3
• InChI Key: KQYLUTYUZIVHND-UHFFFAOYSA-N
• Exact Mass: 244.20384475
• Molecular Formula: C14H28O3
• Molecular Weight: 244.37
• SMILES: CCCCCCC(C)(C)C(=O)OOC(C)(C)C
• Topological: 35.5
• Monoisotopic Mass: 244.20384475
• Physical Description: This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in an organic solvent slurry. Responders should try to identify solvent.
• Synonyms: butyl perneodecanoate, tert-butyl perneodecanoate, ESPEROX 33, LUPEROX 10, S44B9Y4P0B, DTXSID7027912, 247-955-1, 26748-41-4, ec 247-955-1, einecs 247-955-1, neodecaneperoxoic acid, 1,1-dimethylethyl ester, tert-butyl peroxyneodecanoate, PERBUTYL ND, Octaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester, LUPERSOL 10, TRIGONOX 23, 25906-27-8, DTXSID30455120, Q27288563

tert-Butyl peroxyneodecanoate is primarily used as a radical initiator in the polymerization of ethylene, vinyl chloride, and styrene. It is particularly effective in high-pressure and low-temperature polymerization processes due to its controlled decomposition profile. This compound is also employed in the production of specialty polymers and copolymers where uniform molecular weight distribution is desired. Its applications extend to the cross-linking of elastomers and the modification of polymer properties in industrial formulations.

Safety and Hazards

GHS Hazard Statements

• H242 (22.6%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H400 (20%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (11.3%): Very toxic to aquatic life with long lasting effects [Warning 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 (22.6%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (100%)
• Aquatic Acute 1 (20%)
• Aquatic Chronic 1 (11.3%)

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