tert-Butyl nonaneperoxoate

Base Information

• Chemical Name: tert-Butyl nonaneperoxoate
• CAS No.: 22913-02-6
• Molecular Formula: C13H26 O3
• Molecular Weight: 230.348
• Hs Code.: 2918300090
• European Community (EC) Number: 245-319-8
• DSSTox Substance ID: DTXSID20177460
• Nikkaji Number: J106.499A
• Wikidata: Q83047788
• Mol file: 22913-02-6.mol

Synonyms:tert-Butyl nonaneperoxoate;22913-02-6;EINECS 245-319-8;Peroxynonanoic acid, tert-butyl ester;tert-Butyl pernonanoate;Tertbutyl perpelargonate;t-Butyl peroxidenonanoate;tert-Butyl nonaneperoxoate #;SCHEMBL1322741;DTXSID20177460;Nonaneperoxoic acid, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl nonaneperoxoate

Chemical Property:

• Vapor Pressure: 0.00617mmHg at 25°C
• Boiling Point: 272.2°Cat760mmHg
• Flash Point: 78.6°C
• PSA: 35.53000
• Density: 0.91g/cm³
• LogP: 4.01030
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 230.18819469
• Heavy Atom Count: 16
• Complexity: 182

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OOC(C)(C)C

Technology Process of tert-Butyl nonaneperoxoate

There total 2 articles about tert-Butyl nonaneperoxoate 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:

tert.-butylhydroperoxide (75-91-2) + Nonanoyl chloride (764-85-2) → tert-butylperoxy pelargonate (22913-02-6)

Guidance literature:

With pyridine; Petroleum ether;

DOI:10.1021/ja01519a023

Reference yield:

→ tert-butylperoxy pelargonate (22913-02-6)

Guidance literature:

tert-butyl-hydroperoxid, R-COOH (R=C8H17), Katalysatorsaeure;

upstream raw materials:

tert.-butylhydroperoxide

Nonanoyl chloride