p-tert-Butylperbenzoic acid
Basic information
- CAS
1711-40-6- Standard SMILES
CC(C)(C)c1ccc(C(=O)OO)cc1- InChIKey
TZAJCDOWOPBMKD-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- p-tert-Butylperbenzoic acid
- IUPAC
- 4-tert-butylbenzenecarboperoxoic acid
- English name
- p-tert-butylperbenzoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 0
Names & synonyms
p-tert-Butylperbenzoic acid1711-40-655PKU7YJIJUNII-55PKU7YJIJButylperoxybenzoate, P-Tert-Peroxybenzoic acid, p-tert-butyl-EINECS 216-981-54-tert-butylbenzene-1-carboperoxoic acidp-t-butylperbenzoic acidBenzenecarboperoxoic acid, 4-(1,1-dimethylethyl)-SCHEMBL6693054-tert-butylperoxybenzoic acid
Show more names
4-tert-Butylbenzeneperoxycarboxylic acid
DTXSID30169013TZAJCDOWOPBMKD-UHFFFAOYSA-NP-TERT-BUTYLPEROXYBENZOIC ACIDNS00025616Q27261324
Database identifiers
- CAS
1711-40-6- PubChem CID
- 74379
- DTXSID
DTXSID30169013- UNII
- 55PKU7YJIJ
- EC Number
- 216-981-5
- Nikkaji
- J203.101I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- BUTYLPEROXYBENZOATE, P-TERT-
- FDA 21 CFR
- 175.3 · 175.300
- FDA UNII
- 55 PKU7YJIJ · 55PKU7YJIJ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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