tert-Butyl 1,1,3,3-tetramethylbutyl peroxide

Base Information

• Chemical Name: tert-Butyl 1,1,3,3-tetramethylbutyl peroxide
• CAS No.: 85153-88-4
• Molecular Formula: C12H26O2
• Molecular Weight: 202.337
• Hs Code.: 2909600000
• European Community (EC) Number: 285-873-8
• UNII: V2ZNV3M8X8
• DSSTox Substance ID: DTXSID60234309
• Nikkaji Number: J309.859A
• Wikidata: Q83116062
• Mol file: 85153-88-4.mol

Synonyms:85153-88-4;tert-Butyl 1,1,3,3-tetramethylbutyl peroxide;EINECS 285-873-8;V2ZNV3M8X8;SCHEMBL2971115;DTXSID60234309;tert-Butyl tetramethylbutyl peroxide;1,1-Dimethylethyl 1,1,3,3-tetramethylbutyl peroxide;Peroxide, 1,1-dimethylethyl 1,1,3,3-tetramethylbutyl

Chemical Property of tert-Butyl 1,1,3,3-tetramethylbutyl peroxide

Chemical Property:

• Vapor Pressure: 0.272mmHg at 25°C
• Boiling Point: 210.9°Cat760mmHg
• Flash Point: 42.6°C
• PSA: 18.46000
• Density: 0.844g/cm³
• LogP: 3.94790
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)OOC(C)(C)C

Technology Process of tert-Butyl 1,1,3,3-tetramethylbutyl peroxide

There total 1 articles about tert-Butyl 1,1,3,3-tetramethylbutyl 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:

1,1,3,3-tetramethylbutyl hydroperoxide (5809-08-5) + tert-butyl alcohol (75-65-0) → t-butyl 1,1,3,3-tetramethylbutyl peroxide (85153-88-4)

Guidance literature:

With sulfuric acid; Yield given. Multistep reaction; 1.) 0 deg C, 20 min, 2.) 25 deg C, 2 h;

DOI:10.1246/bcsj.64.259

Reference yield:

Isopropylbenzene (98-82-8) + t-butyl 1,1,3,3-tetramethylbutyl peroxide (85153-88-4) → 2,4,4-trimethyl-2-pentanol (690-37-9) + dicumene (1889-67-4) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

Rate constant; Thermodynamic data; Mechanism; Heating; decomposition in cumene; ΔH(excit.), ΔS(excit.); 110-140 deg C;

DOI:10.1246/bcsj.64.259

upstream raw materials:

1,1,3,3-tetramethylbutyl hydroperoxide

tert-butyl alcohol

Downstream raw materials:

2,4,4-trimethyl-2-pentanol

dicumene

acetone

tert-butyl alcohol