Di-tert-butyl peroxide

Base Information

• Chemical Name: Di-tert-butyl peroxide
• CAS No.: 110-05-4
• Deprecated CAS: 62534-71-8
• Molecular Formula: C8H18O2
• Molecular Weight: 146.23
• Hs Code.: 2909 60 00
• European Community (EC) Number: 203-733-6
• ICSC Number: 1019
• NSC Number: 673
• UN Number: 3107,2102
• UNII: M7ZJ88F4R1
• DSSTox Substance ID: DTXSID2024955
• Nikkaji Number: J3.251D
• Wikipedia: Di-tert-butyl_peroxide,Di-t-butyl peroxide
• Wikidata: Q413043
• ChEMBL ID: CHEMBL1558599
• Mol file: 110-05-4.mol

Synonyms:di-t butyl peroxide;di-tert-butyl peroxide

Chemical Property of Di-tert-butyl peroxide

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 40 mm Hg ( 20 °C)
• Melting Point: -30 °C
• Refractive Index: n20/D 1.3891(lit.)
• Boiling Point: 111 °C at 760 mmHg
• Flash Point: 29.7 °C
• PSA: 18.46000
• Density: 0.796 g/cm³
• LogP: 2.53160
• Storage Temp.: 2-8°C
• Solubility.: 0.063g/l
• Water Solubility.: immiscible
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 80.8
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99% ^*data from raw suppliers

Di-tert-butyl Peroxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): O,F
• Hazard Codes: O,F,Xn
• Statements: 7-11-68-52/53-2017/7/11
• Safety Statements: 14-16-3/7-36/37/39-14A-61-23

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Peroxides, Organic
• Canonical SMILES: CC(C)(C)OOC(C)(C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract.
• Description: Di-tert-butyl peroxide is a clear, water-white liquid. It has a specific gravity of 0.79, which is lighter than water, and it will float on the surface. It is nonpolar and insoluble in water. Di-tert-butyl peroxide is a strong oxidizer and may ignite organic materials or explode if shocked or in contact with reducing agents. In addition to being an oxidizer, Di-tert-butyl peroxide is highly flammable. It has a boiling point of 231°F (110°C) and a flash point of 65°F (18°C). The NFPA 704 designation is health 3, flammability 2, and reactivity 4. The prefix “oxy” for oxidizer is placed in the white section at the bottom of the 704 diamond.
• Uses: Di-t-butyl peroxide (DTBP) is used as apolymerization catalyst. Luperox?DI, tert-Butyl peroxide has been used as a radical initiator to induce free radical polymerization. It has also been used as a cetane enhancer in a study to determine the phase behavior of carboxylate-based extended surfactant reverse micellar microemulsions with ethanol and vegetable oil/diesel blends.

Technology Process of Di-tert-butyl peroxide

There total 51 articles about Di-tert-butyl peroxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

tert-Butyl-(tert-butylphenoxy)peracetat (52946-63-1) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + di-tert-butyl peroxide (110-05-4) + tert-butyl alcohol (75-65-0)

Guidance literature:

In various solvent(s); at 40 - 60 ℃; Rate constant; Thermodynamic data; E(activ.) and preexponential factor;

Reference yield:

tert-butylperoxyl (3395-62-8) → methanol (67-56-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + methyl tert-butyl peroxide (51392-67-7) + di-tert-butyl peroxide (110-05-4) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

In water; at 19.9 ℃; Rate constant; Product distribution; Mechanism;

DOI:10.1039/ft9908603247

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + tert.-butylhydroperoxide (75-91-2) + bis(acetylacetonate)oxovanadium (3153-26-2) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → acetic acid tert-butyl ester (540-88-5) + di-tert-butyl peroxide (110-05-4) + acetic acid (64-19-7,77671-22-8) + acetone (67-64-1) + acetylacetone (123-54-6,81235-32-7) + tert-butyl alcohol (75-65-0) + Brenztraubensaeure-methylester-(2,4-dinitro-phenylhydrazon) (3618-76-6)

Guidance literature:

tert.-butylhydroperoxide; bis(acetylacetonate)oxovanadium; In benzene; at 20 ℃;

With sulfuric acid; In benzene;

diazomethane; (2,4-dinitro-phenyl)-hydrazine; Further stages;

DOI:10.1134/S1070363209080143

upstream raw materials:

tert.-butylhydroperoxide

tert-butyl hydrogen sulfate

Isobutane

tert-butyl alcohol

Downstream raw materials:

(+/-)-3-(2-pyrrolidinyl)-1-propanol

tributylphosphine

isopropyl chloride

chloroform

Refernces

• 1、 Tsentalovich, Yuri P.,Kulik, Leonid V.,Gritsan, Nina P.,Yurkovskaya, Alexandra V.. "Solvent effect on the rate of β-scission of the tert-butoxyl radical". . p. 7975 - 7980. Retrieved 1998.
• 2、 Stepovik,Malysheva,Fukin. "Interaction of 9-substituted anthracenes with oxidation systems tert-butylhydroperoxide-metal tert-butoxide". . p. 1401 - 1411. Retrieved 2015.
• 3、 Costello, Andrew R.,Lindsay Smith, John R.,Stark, Moray S.,Waddington, David J.. "Kinetic study of the reactions of tert-butyl radicals in the liquid phase in the presence and absence of oxygen". . p. 3497 - 3507. Retrieved 1996.
• 4、 Csanyi,Palinko,Rockenbauer,Jaky,Korecz. "The role of onium salts in the oxidation of hydrocarbons by O2 catalysed by cationic phase-transfer reagents". . p. 3801 - 3805. Retrieved 2000.
• 5、 Milas,Djokic. "". . p. 3098,3100. Retrieved 1962.
• 6、 Bennett, John E.. "Kinetic Electron Paramagnetic Resonance Study of the Reactions of t-Butylperoxyl Radicals in Aqueous Solution". . p. 3247 - 3252. Retrieved 1990.
• 7、 Petrov, L. V.,Solyanikov, V. M.. "DECOMPOSITION OF tert-BUTYL HYDROPEROXIDE IN ACETONITRILE CATALYZED BY ANTIMONY PENTACHLORIDE". . p. 1081 - 1086. Retrieved 1980.
• 8、 -. "PROCESS FOR PRODUCING AN ORGANIC PEROXIDE". Page/Page column 15. . Retrieved 2020/09/08.
• 9、 -. "Synthetic method for dialkyl peroxide". Paragraph 0057-0062; 0075-0076. . Retrieved 2019/04/13.