p-tert-Butylcumene hydroperoxide

Base Information

Chemical Name:p-tert-Butylcumene hydroperoxide
CAS No.:6285-32-1
Molecular Formula:C13H20O2
Molecular Weight:208.301
Hs Code.:
NSC Number:5558
UNII:J8M5GW2MVD
DSSTox Substance ID:DTXSID10978569
Wikidata:Q82963985

Synonyms:p-tert-Butylcumene hydroperoxide;6285-32-1;1-tert-butyl-4-(2-hydroperoxypropan-2-yl)benzene;J8M5GW2MVD;NSC-5558;Hydroperoxide, 1-(4-(1,1-dimethylethyl)phenyl)-1-methylethyl;Hydroperoxide, 1-[4-(1,1-dimethylethyl)phenyl]-1-methylethyl;Hydroperoxide, p-tert-butyl-alpha,alpha-dimethylbenzyl;UNII-J8M5GW2MVD;SCHEMBL11811353;DTXSID10978569;NSC5558;NSC 5558;4-TERT-BUTYLCUMENEHYDROPEROXIDE;AKOS040753650;2-(4-tert-Butylphenyl)propane-2-peroxol;1-(4-(1,1-DIMETHYLETHYL)PHENYL)-1-METHYLETHYL HYDROPEROXIDE

Suppliers and Price of p-tert-Butylcumene hydroperoxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 7 raw suppliers

Chemical Property of p-tert-Butylcumene hydroperoxide

Chemical Property:

Vapor Pressure:0.000195mmHg at 25°C
Boiling Point:314.6°Cat760mmHg
Flash Point:144.1°C
Density:0.991g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:208.146329876
Heavy Atom Count:15
Complexity:195

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
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MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(C)(C)OO
General Description 2-(4-tert-Butylphenyl)propan-2-yl hydroperoxide, also known as p-tert-butylcumene hydroperoxide, is a key intermediate in the synthesis of p-tert-butylphenol and acetone. It undergoes acid-catalyzed decomposition, yielding these products in high selectivity, with optimal conditions achieving up to 92% yield of p-tert-butylphenol. 2-(4-tert-butylphenyl)propan-2-yl hydroperoxide is formed with high selectivity (95–98%) during the aerobic oxidation of para-tert-butylcumene (PTBC) in the presence of N-hydroxyphthalimide, making it a valuable precursor in industrial organic synthesis. Its decomposition kinetics and reaction mechanism have been well-studied, particularly in the context of sulfuric acid-catalyzed processes.

Technology Process of p-tert-Butylcumene hydroperoxide

There total 4 articles about p-tert-Butylcumene hydroperoxide 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: 38.0%

: 4132-49-4
p-tert.-Butyl-cumol

: 6285-32-1
para-tert-butylcumene hydroperoxide

Guidance literature:: With N-hydroxyphthalimide; oxygen; at 130 ℃; for 1.25h; Reagent/catalyst; Flow reactor;
DOI:10.1007/s11172-021-3302-4

Reference yield:

: 98-82-8
Isopropylbenzene

: 6285-32-1
para-tert-butylcumene hydroperoxide

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / 35 °C

2: oxygen; N-hydroxyphthalimide / 1.25 h / 130 °C / Flow reactor

With N-hydroxyphthalimide; sulfuric acid; oxygen;
DOI:10.1007/s11172-021-3302-4