Basic information
- CAS
5789-77-5- Standard SMILES
CC(C)(C)OOC(=O)COc1ccccc1- InChIKey
CQQQFUYNHQOSRI-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- tert-Butyl phenoxyperoxyacetate
- IUPAC
- tert-butyl 2-phenoxyethaneperoxoate
- English name
- tert-butyl phenoxyperoxyacetate
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25304
Names & synonyms
tert-Butyl phenoxyperoxyacetate5789-77-5HW7A4V2GKVtert-butyl phenoxyethaneperoxoateEINECS 227-325-2UNII-HW7A4V2GKVDTXSID00206601CQQQFUYNHQOSRI-UHFFFAOYSA-NPEROXYACETIC ACID, PHENOXY-, TERT-BUTYL ESTER2-Phenoxyperacetic acid 1,1-dimethylethyl esterEthaneperoxoic acid, 2-phenoxy-, 1,1-dimethylethyl ester
Database identifiers
- CAS
5789-77-5- PubChem CID
- 79852
- DTXSID
DTXSID00206601- UNII
- HW7A4V2GKV
- EC Number
- 227-325-2
- Nikkaji
- J218.048K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- FDA UNII
- 7 A4V2GKV · HW7A4V2GKV
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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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