Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylpropyl ester

Base Information

• Chemical Name: Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylpropyl ester
• CAS No.: 70833-39-5
• Molecular Formula: C13H18O3
• Molecular Weight: 222.2802
• European Community (EC) Number: 274-918-7
• DSSTox Substance ID: DTXSID8072168
• Nikkaji Number: J288.637E
• Wikidata: Q82000099

Synonyms:tert-Pentyl 2-methylperbenzoate;70833-39-5;Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylpropyl ester;EINECS 274-918-7;DTXSID8072168;SCHEMBL22773852;2-Methylbenzenecarboperoxoic acid 1,1-dimethylpropyl ester

Chemical Property of Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylpropyl ester

Chemical Property:

• Vapor Pressure: 0.00022mmHg at 25°C
• Boiling Point: 326.2°Cat760mmHg
• Flash Point: 119.5°C
• PSA: 35.53000
• Density: 1.028g/cm³
• LogP: 3.27200
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)OOC(=O)C1=CC=CC=C1C

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