Butyl perbenzoate
Basic information
- CAS
13269-61-9- Standard SMILES
CCCCOOC(=O)c1ccccc1- InChIKey
UPIWXMRIPODGLE-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Butyl perbenzoate
- IUPAC
- butyl benzenecarboperoxoate
Names & synonyms
Butyl perbenzoatebutyl benzenecarboperoxoate13269-61-9EINECS 236-263-5DTXSID10157716RefChem:571774DTXCID9080207236-263-5butylperbenzoatebutylperbenzoatSCHEMBL98564SCHEMBL7631651
Show more names
NS00021605
Database identifiers
- CAS
13269-61-9- PubChem CID
- 83282
- DTXSID
DTXSID10157716- EC Number
- 236-263-5
- Nikkaji
- J213.794A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee tert-Butyl peroxybenzoate.
Related reactions
3 records
Compound notes
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