1,1-Dimethylpropyl 3,5,5-trimethylperoxyhexanoate

Base Information

• Chemical Name: 1,1-Dimethylpropyl 3,5,5-trimethylperoxyhexanoate
• CAS No.: 68860-54-8
• Molecular Formula: C14H28O3
• Molecular Weight: 244.37
• European Community (EC) Number: 431-610-9
• DSSTox Substance ID: DTXSID50988566
• Nikkaji Number: J600.133E
• Mol file: 68860-54-8.mol

Synonyms:68860-54-8;1,1-dimethylpropyl 3,5,5-trimethylperoxyhexanoate;1,1-Dimethylpropyl 3,5,5-trimethylhexaneperoxoate;Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylpropyl ester;EC 431-610-9;2-methylbutan-2-yl 3,5,5-trimethylhexaneperoxoate;SCHEMBL2023147;DTXSID50988566;tert-amylperoxy-3,5,5-trimethylhexanoate;3,5,5-Trimethylperoxyhexanoic acid tert-pentyl ester

Chemical Property of 1,1-Dimethylpropyl 3,5,5-trimethylperoxyhexanoate

Chemical Property:

• Vapor Pressure: 0.00467mmHg at 25°C
• Boiling Point: 276.9°C at 760 mmHg
• Flash Point: 74.9°C
• PSA: 35.53000
• Density: 0.905g/cm³
• LogP: 4.11220
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 244.20384475
• Heavy Atom Count: 17
• Complexity: 238

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)CC(C)CC(C)(C)C