6731-36-8

Basic information

• Product Name: 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane
• Synonyms: 1,1-di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane,75%sol.inarom.freemin.spirit;di-tert-butylperoxy-3,3,5-trimethylcyclohexaneperoxide;luperco231g;luperco231xl;luperco231xlp;lupersol231;perhexa3m;perhexa3m40
• CAS NO: 6731-36-8
• Molecular Formula: C₁₇H₃₄O₄
• Molecular Weight: 302.45
• EINECS: 229-782-3
• Product Categories: Organics
• Mol File: 6731-36-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: -20 °C
• Boiling Point: 403.47°C (rough estimate)
• Flash Point: 62 °C
• Appearance: Clear/Solution
• Density: 0.895
• Vapor Pressure: 0.000988mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• Storage Temp.: Refrigerator (+4°C)
• Solubility: Acetonitrile (Slightly), Chloroform (Sparingly)
• Water Solubility: immiscible
• CAS DataBase Reference: 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane(6731-36-8)
• EPA Substance Registry System: 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane(6731-36-8)

Safety Data

• Hazard Codes: O,Xi,N,T,E
• Statements: 8-7-41-37/38-36/37/38-62-50-61-53-2-50/53
• Safety Statements: 7-17-36/37/39-3/7-28B-26-14A-14-47-61-45-53-35-28
• RIDADR: UN 3110 5.2
• WGK Germany: 3
• RTECS: SD8600000
• HazardClass: 5.2
• PackingGroup: II
• Hazardous Substances Data: 6731-36-8(Hazardous Substances Data)

Usage

Chemical Properties

clear solution

Uses

1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane is a crosslinking agent that may be used in polymerization reactions.

Reactivity Profile

Peroxides, such as 1,1-DI-(TERT-BUTYLPEROXY)-3,3,5-TRIMETHYL CYCLOHEXANE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. May explode from heat or contamination.

Flammability and Explosibility

Flammable

InChI:InChI=1/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3

Synthetic route

tert.-butylhydroperoxide (75-91-2) + dihydroisophorone (873-94-9) → 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane (6731-36-8)

Conditions	Yield
With sulfuric acid In water at 12 - 18℃;	63%

Upstream product

• 75-91-2 tert.-butylhydroperoxide 
• 873-94-9 dihydroisophorone 

Relevant articles and documents

METHOD FOR THE PRODUCTION OF ORGANIC PEROXIDES BY MEANS OF A MICROREACTION TECHNIQUE

The invention provides a process for efficient and reliable preparation of organic peroxides, preferably dialkyl peroxides, peroxycarboxylic acids, peroxycarboxylic esters, diacyl peroxides, peroxycarbonate esters, peroxydicarbonates, ketone peroxides and perketals with the aid of at least one static micromixer and an apparatus for performing the process.

Peroxide initiators

Mixtures active as initiators for radical polymerization reactions comprising (1) from 1 to 99% by weight of a substituted diphenyl ethane; and (2) from 99 to 1% by weight of an organic peroxide, and a process for desensitizing organic peroxides.