Di-tert-butyl peroxyoxalate
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Basic information
- CAS
1876-22-8- Standard SMILES
CC(C)(C)OOC(=O)C(=O)OOC(C)(C)C- InChIKey
HXEQSCUBDIKNLN-UHFFFAOYSA-N- Molecular formula
- C10H18O6
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.11033829
Names & identifiers
- Preferred name
- Di-tert-butyl peroxyoxalate
- IUPAC
- ditert-butyl ethanediperoxoate
- English name
- di-tert-butyl peroxyoxalate
- Molecular formula
- C10H18O6
- Molecular weight
- 234.25
Names & synonyms
Di-tert-butyl peroxyoxalateDtbpox1876-22-8PF29S2JO3JEthanediperoxoic acid, bis(1,1-dimethylethyl) esterRefChem:132521ditert-butyl ethanediperoxoateDBPOdi-tert-butyl ethanediperoxoatedi-tert-butyl peroxalateUNII-PF29S2JO3JTERT-BUTYL PEROXALATE
Show more names
Di-t-butyl PeroxyoxalateEthanediperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester
SCHEMBL477327DTXSID10940221DI-TERT-BUTYL PEROXYOXALATE [MI]Q27286510ETHANEDIPEROXOIC ACID 1,2-BIS(1,1-DIMETHYLETHYL) ESTER
Database identifiers
- CAS
1876-22-8- PubChem CID
- 193336
- DTXSID
DTXSID10940221- UNII
- PF29S2JO3J
- Nikkaji
- J396.628C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 237.7 · 237.7±23.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- solubility
- sol most organic solvents (e.g. CH2Cl2, CCl4, PhH, PhCl, and pentane)
- FDA UNII
- 29 S2JO3J · PF29S2JO3J
Chemistry & industry
Applications
UsesDi-tert-butyl peroxyoxalate is useful for clean, low-temperature generation of t-butoxyl radicals; induces cyclization of alkenyl hydroperoxides; used in radical-trapping experiments, and as initiator for alkene autoxidation and ;polymerization.
Related reactions
0 records
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Compound notes
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