Bishexanoyl peroxide

Base Information

• Chemical Name: Bishexanoyl peroxide
• CAS No.: 2400-59-1
• Molecular Formula: C12H22 O4
• Molecular Weight: 230.304
• Hs Code.: 2915900090
• European Community (EC) Number: 219-273-4
• DSSTox Substance ID: DTXSID701313312
• Nikkaji Number: J110.155B
• Mol file: 2400-59-1.mol

Synonyms:Bishexanoyl peroxide;2400-59-1;EINECS 219-273-4;dihexanoyl peroxide;Dihexanoylperoxid;dicaproyl peroxide;Bis(1-oxohexyl) peroxide;SCHEMBL1031157;DTXSID701313312

Chemical Property of Bishexanoyl peroxide

Chemical Property:

• Vapor Pressure: 0.0025mmHg at 25°C
• Refractive Index: 1.4314 (estimate)
• Boiling Point: 287.3°Cat760mmHg
• Flash Point: 119.6°C
• PSA: 52.60000
• Density: 0.985g/cm³
• LogP: 3.14840
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OOC(=O)CCCCC

Technology Process of Bishexanoyl peroxide

There total 6 articles about Bishexanoyl 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: 70.0%

→ dihexanoyl peroxide (2400-59-1)

Guidance literature:

Reference yield: 66.0%

hexanoic acid (142-62-1) → dihexanoyl peroxide (2400-59-1)

Guidance literature:

hexanoic acid; With dmap; dihydrogen peroxide; In dichloromethane; at -15 ℃; for 0.25h;

With dicyclohexyl-carbodiimide; In dichloromethane; for 3h;

DOI:10.1021/acs.joc.9b02875

Reference yield: 65.0%

Hexanoyl chloride (142-61-0) → dihexanoyl peroxide (2400-59-1)

Guidance literature:

With KO₂;

upstream raw materials:

Hexanoyl chloride

hexanoic acid

n-hexanoic anhydride

Downstream raw materials:

pentan-1-ol

1-penten

methylammonium carbonate

decane

Refernces

• 1、 Li, Yougui,Han, Yulong,Xiong, Haigen,Zhu, Nengbo,Qian, Bo,Ye, Changqing,Kantchev, Eric Assen B.,Bao, Hongli. "Copper-catalyzed regioselective 1,2-alkylesterification of dienes to allylic esters". . p. 392 - 395. Retrieved 2016.
• 2、 Ghosh, Subhendu,Mir, Bilal Ahmad,Patel, Bhisma K.,Rajamanickam, Suresh,Sah, Chitranjan,Sethi, Garima,Venkataramani, Sugumar,Yadav, Vinita. "Bu4NI-Catalyzed, Radical-Induced Regioselective N-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters". . p. 2118 - 2141. Retrieved 2020/03/13.
• 3、 Tian, Hao,Xu, Wentao,Liu, Yuxiu,Wang, Qingmin. "Radical alkylation of C(sp3)-H bonds with diacyl peroxides under catalyst-free conditions". supporting information. p. 14813 - 14816. Retrieved 2019/12/24.