2-Methylpropane-1-peroxol

Base Information

• Chemical Name: 2-Methylpropane-1-peroxol
• CAS No.: 5618-63-3
• Molecular Formula: C4H10O2
• Molecular Weight: 90.1222
• DSSTox Substance ID: DTXSID80545868
• Nikkaji Number: J516.696I
• Wikidata: Q82423503
• Mol file: 5618-63-3.mol

Synonyms:5618-63-3;2-Methylpropane-1-peroxol;I-butyl hydroperoxide;DTXSID80545868

Chemical Property of 2-Methylpropane-1-peroxol

Chemical Property:

• PSA: 29.46000
• LogP: 1.13200
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.068079557
• Heavy Atom Count: 6
• Complexity: 26.7

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COO

Technology Process of 2-Methylpropane-1-peroxol

There total 1 articles about 2-Methylpropane-1-peroxol 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:

Isobutane (75-28-5,40921-86-6) → tert.-butylhydroperoxide (75-91-2) + 2-methyl-propan-1-ol (78-83-1) + iso-butyl hydroperoxide (5618-63-3) + isobutyraldehyde (78-84-2) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

With 2-pyrazylcarboxylic acid; air; dihydrogen peroxide; [n-Bu₄N]VO₃; In acetonitrile; at 23 - 75 ℃; Product distribution; Mechanism;

DOI:10.1016/S0040-4020(97)00080-X

Reference yield:

iso-butyl hydroperoxide (5618-63-3) → 2-methyl-propan-1-ol (78-83-1) + water (7732-18-5) + isobutyric Acid (79-31-2)

Guidance literature:

at 86 ℃; Produkt₅-11:Isobutyraldehyd,Propan-2-ol,Isobuttersaeure-isobutylester,Isobutylformiat,Propan,Kohlenmonoxid,Kohlendioxid;

DOI:10.1021/ja01535a019

upstream raw materials:

Isobutane

Downstream raw materials:

2-methyl-propan-1-ol

water

isobutyric Acid