tert-Butyl cumyl peroxide

Base Information

• Chemical Name: tert-Butyl cumyl peroxide
• CAS No.: 3457-61-2
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• Hs Code.: 29096000
• European Community (EC) Number: 222-389-8
• UN Number: 3105
• UNII: J78XB9M8IR
• DSSTox Substance ID: DTXSID9063039
• Nikkaji Number: J3.053H
• Wikidata: Q27281299
• Mol file: 3457-61-2.mol

Synonyms:tert-Butyl cumyl peroxide;3457-61-2;t-Butyl cumyl peroxide;Kayabutyl C;Trigonox T;Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl;2-tert-butylperoxypropan-2-ylbenzene;Luperox 801;Luperco 801-XL;Cumyl tert-butyl peroxide;UNII-J78XB9M8IR;J78XB9M8IR;tert-Butyl alpha,alpha-dimethylbenzyl peroxide;EINECS 222-389-8;EC 222-389-8;30026-92-7;tert-Butyl .alpha.,.alpha.-dimethylbenzyl peroxide;1-((1,1-Dimethylethyl)phenyl)-1-methylethyl hydroperoxide;Hydroperoxide, 1-((1,1-dimethylethyl)phenyl)-1-methylethyl;NA2091;UN2091;Tert.butylcumylperoxide;tert-butyl-cumyl peroxide;tert.-butylcumyl peroxide;tert.butyl cumyl peroxide;tert-Butyl cumene peroxide;SCHEMBL22352;TERT-BUTYLCUMENEPEROXIDE;DTXSID9063039;NA-2091;(2-(tert-butylperoxy)propan-2-yl)benzene;1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxide;1,1-Dimethylethyl-1-methyl-1-phenylethyl peroxide;Peroxide, tert-butyl .alpha.,.alpha.-dimethylbenzyl;Q27281299;Hydroperoxide, tert-butyl-.alpha.,.alpha.-dimethylbenzyl

Chemical Property of tert-Butyl cumyl peroxide

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.0364mmHg at 25°C
• Melting Point: 5-8 °C
• Refractive Index: 1.419-1.423
• Boiling Point: 249.4 °C at 760 mmHg
• Flash Point: 73.2 °C
• PSA: 18.46000
• Density: 0.953 g/cm ³
• LogP: 3.66840
• Storage Temp.: Indoors
• Water Solubility.: 10.66mg/L at 20℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 185
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99.9% ^*data from raw suppliers

TERT-BUTYL CUMYL PEROXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N, Xi, O
• Hazard Codes: N-Xi-O,N,Xi,O
• Statements: 7-51/53-38
• Safety Statements: 61-36/37/39-3/7-14A-14

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOC(C)(C)C1=CC=CC=C1
• Uses: 1,1-Dimethylethyl 1-methyl-1-phenylethyl Peroxide (Technical Grade) acts as a crosslinking peroxide in polymerization reactions.

Technology Process of tert-Butyl cumyl peroxide

There total 17 articles about tert-Butyl cumyl 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: 80.0%

tert.-butylhydroperoxide (75-91-2) + Isopropylbenzene (98-82-8) → tert-butyl cumyl peroxide (3457-61-2)

Guidance literature:

With acetic acid; ferric nitrate; In pyridine; at 60 ℃; for 18h;

DOI:10.1039/c39940001823

Reference yield: 80.0%

tert.-butylhydroperoxide (75-91-2) + Isopropylbenzene (98-82-8) → tert-butyl cumyl peroxide (3457-61-2) + acetophenone (98-86-2)

Guidance literature:

With Mn(4,5-Cl₂-1,2-bis(pyridine-2-carboxamido)benzene)OAc; In acetonitrile; at 20 ℃; for 3h;

Reference yield: 19.0%

tert.-butylhydroperoxide (75-91-2) + Cumene hydroperoxide (80-15-9) → tert-butyl cumyl peroxide (3457-61-2)

Guidance literature:

With boron trifluoride diethyl etherate; trichloroacetimidate; sodium chloride; In dichloromethane; water; at -20 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.0c01016

upstream raw materials:

tert.-butylhydroperoxide

Isopropylbenzene

diacetyl peroxide

1-methyl-1-phenylethyl alcohol

Downstream raw materials:

methane

1-methyl-1-phenylethyl alcohol

acetophenone

phenol