Basic information
- CAS
59382-51-3- Standard SMILES
CC(C)(C)CC(C)(C)OOC(=O)COc1ccccc1- InChIKey
WQXWDMWCSZQRFW-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- Ethaneperoxoic acid, 2-phenoxy-, 1,1,3,3-tetramethylbutyl ester
- IUPAC
- 2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate
- English name
- 2,4,4-Trimethyl pentyl-2-peroxy phenoxy acetate(in solution,content≤37%)
- Molecular formula
- C16H24O4
- Molecular weight
- 280.36
Names & synonyms
EINECS 261-726-3Ethaneperoxoic acid, 2-phenoxy-, 1,1,3,3-tetramethylbutyl esterRefChem:591744Ethaneperoxoic acid, phenoxy-, 1,1,3,3-tetramethylbutyl ester59382-51-31,1,3,3-Tetramethylbutyl phenoxyperoxyacetate2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate2,4,4-trimethylpentan-2-yl phenoxyethaneperoxoateD5KZQ9F29QDTXSID1069326WQXWDMWCSZQRFW-UHFFFAOYSA-NDB-225839
Show more names
2,4,4-Trimethylpentyl-2-perphenoxy acetatePhenoxyperacetic acid 1,1,3,3-tetramethylbutyl ester2,4,4-trimethylpentyl-2-peroxy phenoxy acetate,<=37%2,4,4-Trimethyl pentyl-2-peroxy phenoxy acetate(in solution,content≤37%)
NS000341461,1,3,3-Tetramethylbutyl 2-phenoxyethaneperoxoate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 347.1 · 347.1±44.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- FDA UNII
- 5 KZQ9F29Q · D5KZQ9F29Q
- EPA Substance Registry System
- 1 · Ethaneperoxoic acid, phenoxy-, 1,1,3,3-tetramethylbutyl ester (59382-51-3)
- RIDADR
- 3115 · 3115
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- ridadr
- 3115
- hazard_class
- 5.2
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthaneperoxoic acid, 2-phenoxy-, 1,1,3,3-tetramethylbutyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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