1,1-Bis[(2-methylpentan-2-YL)peroxy]cyclohexane

Base Information

• Chemical Name: 1,1-Bis[(2-methylpentan-2-YL)peroxy]cyclohexane
• CAS No.: 22743-71-1
• Molecular Formula: C18H36 O4
• Molecular Weight: 316.481
• Hs Code.: 2909600000
• DSSTox Substance ID: DTXSID80561826
• Nikkaji Number: J157.567H
• Wikidata: Q82445708
• Mol file: 22743-71-1.mol

Synonyms:22743-71-1;1,1-BIS[(2-METHYLPENTAN-2-YL)PEROXY]CYCLOHEXANE;1,1-bis(2-methylpentan-2-ylperoxy)cyclohexane;SCHEMBL44206;DTXSID80561826;VBQCFYPTKHCPGI-UHFFFAOYSA-N;1,1-Bis-(tert-hexylperoxy)cyclohexane;27215-08-3;Peroxide,cyclohexylidenebis[(1,1-dimethylbutyl)(8ci,9ci)

Chemical Property of 1,1-Bis[(2-methylpentan-2-YL)peroxy]cyclohexane

Chemical Property:

• Boiling Point: 346.2±12.0 °C(Predicted)
• PSA: 36.92000
• Density: 0.95±0.1 g/cm3(Predicted)
• LogP: 5.70060
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 316.26135963
• Heavy Atom Count: 22
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CCC

Technology Process of 1,1-Bis[(2-methylpentan-2-YL)peroxy]cyclohexane

There total 2 articles about 1,1-Bis[(2-methylpentan-2-YL)peroxy]cyclohexane 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: 90.9%

cycloxexanone dimethyl ketal (933-40-4) + 1,1-dimethylbutyl hydroperoxide (13393-68-5) → 1,1-di(tert-hexylperoxy)cyclohexane (22743-71-1)

Guidance literature:

With toluene-4-sulfonic acid; In dimethyl sulfoxide; at 20 ℃; under 15 - 20 Torr;

DOI:10.1021/jo00122a035

Reference yield:

→ 1,1-di(tert-hexylperoxy)cyclohexane (22743-71-1)

Guidance literature:

Carbonylverb., Hydroperoxid;

DOI:10.1016/0032-3950(70)90428-4

Reference yield:

1,1-di(tert-hexylperoxy)cyclohexane (22743-71-1) → 2-methylpentan-2-ol (590-36-3) + acetone (67-64-1)

Guidance literature:

With Isopropylbenzene; at 110 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); other temp.;

DOI:10.1021/jo00122a035

upstream raw materials:

cycloxexanone dimethyl ketal

1,1-dimethylbutyl hydroperoxide

Downstream raw materials:

2-methylpentan-2-ol

acetone