Description

Peroxide, bis(3,5,5-trimethyl-1-oxohexyl) (CAS No. 3851-87-4) is a high-purity organic peroxide with the molecular formula C₁₈H₃₄O₄. This compound, also known by its IUPAC name 3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate, is widely utilized as a radical initiator in polymerization reactions. Its stable yet reactive nature makes it ideal for controlled radical generation in industrial and research applications. The product is supplied as a clear to pale yellow liquid with stringent quality control to ensure consistency and performance. Suitable for use in organic synthesis, material science, and specialty chemical manufacturing, this peroxide is handled with care due to its potential thermal sensitivity. Store in a cool, dry place away from direct sunlight and incompatible materials.

Properties

• CAS Number: 3851-87-4
• Complexity: 324
• IUPAC Name: 3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate
• InChI: InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3
• InChI Key: KFGFVPMRLOQXNB-UHFFFAOYSA-N
• Exact Mass: 314.24570956
• Molecular Formula: C18H34O4
• Molecular Weight: 314.5
• SMILES: CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
• Topological: 52.6
• Monoisotopic Mass: 314.24570956
• Physical Description: Liquid
• Synonyms: 3,5,5-Trimethylhexanoyl peroxide, 3851-87-4, Bis(1-oxo-3,5,5-trimethylhexyl)peroxide, Peroxide, bis(3,5,5-trimethyl-1-oxohexyl), EINECS 223-356-0, Bis(3,5,5-trimethyl-1-oxohexyl) peroxide, DTXSID60863279, EC 223-356-0, DTXCID90811925, 3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate, di(3,5,5-trimethylhexanoyl) peroxide, Bis(3,5,5-trimethylhexanoyl) peroxide, SCHEMBL94333, NS00002412

Application

Peroxide, bis(3,5,5-trimethyl-1-oxohexyl) is primarily employed as a free-radical initiator in the polymerization of vinyl monomers, such as styrene and acrylics. It is also used in crosslinking reactions for polymers and elastomers to enhance mechanical properties. This peroxide finds applications in the production of specialty adhesives, coatings, and composite materials. Its controlled decomposition characteristics make it valuable in high-temperature curing processes. Researchers leverage its reactivity for advanced material development and organic synthesis methodologies.

Safety and Hazards

GHS Hazard Statements

• H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H304 (81.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P210, P234, P235, P240, P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P403, P405, P410, P411, P420, and P501

Hazard Classes and Categories

• Org. Perox. D (100%)
• Asp. Tox. 1 (81.8%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (100%)

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