Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester

Base Information

• Chemical Name: Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester
• CAS No.: 29240-17-3
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• Hs Code.: 2918300090
• European Community (EC) Number: 249-530-6
• UNII: 3CB8K6ZUL2
• DSSTox Substance ID: DTXSID7067451
• Nikkaji Number: J250.809E
• Wikidata: Q81994043
• Mol file: 29240-17-3.mol

Synonyms:29240-17-3;tert-Amyl peroxypivalate;Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester;2-methylbutan-2-yl 2,2-dimethylpropaneperoxoate;tert-Pentyl peroxypivalate;t-amyl peroxypivalate;3CB8K6ZUL2;EINECS 249-530-6;2,2-dimethylpropaneperoxoic acid 2-methylbutan-2-yl ester;tert-amyl perpivalate;UNII-3CB8K6ZUL2;SCHEMBL216425;DTXSID7067451;Peroxypivalic acid, tert-pentyl ester;1,1-dimethylpropyl 2,2-dimethylpropaneperoxoate;2,2-Dimethylperoxypropionic acid tert-amyl ester;A819836;A820180

Chemical Property of Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester

Chemical Property:

• Vapor Pressure: 0.269mmHg at 25°C
• Refractive Index: 1.422
• Boiling Point: 204 °C at 760 mmHg
• Flash Point: 59.2 °C
• PSA: 35.53000
• Density: 0.924 g/cm³
• LogP: 2.69590
• Water Solubility.: 504mg/L at 20℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester

There total 3 articles about Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylpropyl ester 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: 93.9%

tert-amyl hydroperoxide (3425-61-4) + pivaloyl chloride (3282-30-2) → tert-amylperoxy pivalate (29240-17-3)

Guidance literature:

With potassium hydroxide; sodium hydroxide; In water; at 10 - 18 ℃;

Reference yield:

tert-Amyl alcohol (75-85-4) → tert-amylperoxy pivalate (29240-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 50percent H₂O₂ / H₂O

2: 20percent KOH / H₂O; petroleum ether / 0.5 h

With potassium hydroxide; dihydrogen peroxide; In water; Petroleum ether;

DOI:10.1246/bcsj.61.1641

Reference yield:

→ tert-amylperoxy pivalate (29240-17-3)

Guidance literature:

upstream raw materials:

tert-amyl hydroperoxide

pivaloyl chloride

tert-Amyl alcohol

Downstream raw materials:

2-methoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

2-tert-butoxy-1,1,3,3-tetramethylisoindoline

2-ethoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

acetone

Refernces

• 1、 -. "Continuous Method for Producing Acyl Peroxides". Page/Page column 4-5. . Retrieved 2010/03/02.
• 2、 Nakamura,Busfield,Jenkins,Rizzardo,Thang,Suyama. "Thermal decomposition mechanisms of tert-alkyl peroxypivalates studied by the nitroxide radical trapping technique". . p. 16 - 23. Retrieved 2007/10/03.