Description

Butyl 4,4-bis(tert-butylperoxy)pentanoate (CAS No. 995-33-5) is a high-purity organic peroxide ester with the molecular formula C₁₇H₃₄O₆. This specialized compound is designed for advanced applications in polymer chemistry, particularly as a crosslinking agent or initiator in radical polymerization processes. Its unique structure, featuring two tert-butylperoxy groups, ensures controlled decomposition kinetics for precise reaction control. The butyl ester moiety enhances solubility in organic matrices, making it ideal for formulations requiring homogeneous distribution. This product is supplied as a clear liquid with strict quality control to ensure batch-to-batch consistency for research and industrial applications. Store under inert conditions at recommended temperatures to maintain stability and performance.

Properties

• CAS Number: 995-33-5
• Complexity: 322
• IUPAC Name: butyl 4,4-bis(tert-butylperoxy)pentanoate
• InChI: InChI=1S/C17H34O6/c1-9-10-13-19-14(18)11-12-17(8,22-20-15(2,3)4)23-21-16(5,6)7/h9-13H2,1-8H3
• InChI Key: BXIQXYOPGBXIEM-UHFFFAOYSA-N
• Exact Mass: 334.23553880
• Molecular Formula: C17H34O6
• Molecular Weight: 334.4
• SMILES: CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C
• Topological: 63.2
• Monoisotopic Mass: 334.23553880
• 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 with an inert solid.
• Synonyms: Butyl 4,4-bis(tert-butyldioxy)valerate, 995-33-5, EINECS 213-626-6, Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester, Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester, 213-626-6, butyl 4,4-bis(tert-butylperoxy)pentanoate, Butyl 4,4-di(tert-butylperoxy)valerate, Butyl 4,4′-bis(tert-butylperoxy)valerate (Technical Grade), Butyl 4,4-bis(tert-butylperoxy)pentanoate; Butyl 4,4-bis(tert-butylperoxy)valerate;Butyl 4,4-di-tert-butylperoxyvalerate; Butyl 4,4′-bis(tert-butylperoxy)valerate;, SCHEMBL44038, DTXSID1061366, butyl-4,4-bis(tert.-butyl peroxy)valerate, NS00020128

Application

Butyl 4,4-bis(tert-butylperoxy)pentanoate is primarily used as a free-radical initiator in the synthesis and modification of polymers, including polyethylene and rubber vulcanization. Its dual peroxide functionality enables efficient crosslinking in elastomers and thermosetting resins, improving mechanical and thermal properties. The compound is also employed in specialty adhesives and coatings where controlled curing is critical. Researchers utilize it to study peroxide decomposition kinetics in model systems.

Safety and Hazards

GHS Hazard Statements

• H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
• H400 (77.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (59.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (77.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H413 (22.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501

Hazard Classes and Categories

• Org. Perox. C (100%)
• Aquatic Acute 1 (77.3%)
• Aquatic Chronic 2 (77.3%)
• Aquatic Chronic 4 (22.7%)

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