Description

Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester (CAS: 51240-95-0) is a high-purity organic peroxide with the molecular formula C₁₈H₃₄O₄. This specialized compound, also known by its IUPAC name 2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate, is widely utilized as a radical initiator in polymerization reactions. Its unique branched alkyl structure ensures excellent solubility in organic solvents while providing controlled decomposition kinetics for precise reaction control. Available in stabilized formulations for safe handling and storage, this peroxide is manufactured under strict quality control to meet the demands of advanced chemical synthesis. Suitable for use in both industrial and research settings, it is supplied with comprehensive technical documentation including MSDS and analytical certificates.

Properties

• CAS Number: 51240-95-0
• Complexity: 381
• IUPAC Name: 1,1,3,3-tetramethylbutyl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate
• InChI: InChI=1S/C18H34O4/c1-15(2,3)11-9-10-12-18(21-22-18)14(19)20-17(7,8)13-16(4,5)6/h9-13H2,1-8H3
• InChI Key: CRJIYMRJTJWVLU-UHFFFAOYSA-N
• Exact Mass: 314.24570956
• Molecular Formula: C18H34O4
• Molecular Weight: 314.5
• SMILES: CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C
• Topological: 51.4
• Monoisotopic Mass: 314.24570956
• Synonyms: EINECS 257-077-0, EC 257-077-0, Neodecaneperoxoic acid, 1,1,3,3-tetramethylbutyl ester, 51240-95-0, 1,1,3,3-Tetramethylbutyl peroxyneodecanoate, 2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate, SCHEMBL1069901, DTXSID20933604, CRJIYMRJTJWVLU-UHFFFAOYSA-N, NS00011522, A828502, 2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)-1,2-dioxirane-3-carboxylate, 3-(5,5-dimethylhexyl)-3-dioxiranecarboxylic acid 2,4,4-trimethylpentan-2-yl ester, 149270-29-1

Application

This peroxide is primarily employed as a free-radical initiator for the polymerization of ethylene, vinyl chloride, and other monomers in high-pressure processes. Its thermal decomposition characteristics make it particularly useful for reactions requiring initiation temperatures between 40-80°C. The compound finds additional applications in the production of specialty polymers and as a crosslinking agent for elastomers. Researchers value its predictable decomposition profile for kinetic studies in radical chemistry.

Safety and Hazards

GHS Hazard Statements

• H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H304 (33.3%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H360 (33.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]

Precautionary Statements

• P203, P210, P234, P235, P240, P264, P280, P301+P316, P302+P352, P318, P321, P331, P332+P317, P362+P364, P370+P378, P403, P405, P410, P411, P420, and P501

Hazard Classes and Categories

• Org. Perox. D (100%)
• Asp. Tox. 1 (33.3%)
• Skin Irrit. 2 (100%)
• Repr. 1B (33.3%)

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