Registration Dossier
Registration Dossier
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EC number: 236-050-7 | CAS number: 13122-18-4
Reference substances
- IUPAC name:
- tert-butyl 3,5,5-trimethylhexaneperoxoate
Inventory
- EC number:
- 236-050-7
- EC name:
- tert-butyl 3,5,5-trimethylperoxyhexanoate
- CAS number:
- 13122-18-4
- CAS number:
- 13122-18-4
Synonyms
- Names:
- Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester
- Peroxyhexanoic acid, 3,5,5-trimethyl-, tert-butyl ester
- tert-butyl 3,5,5-trimethylperoxyhexanoate
- Identifier:
- IUPAC name
- tert-butyl 3,5,5-tris(methylperoxy)hexanoate
- Identifier:
- ChemSpider ID
- 19978475
- Identifier:
- other: SMILES notation
- CC(C)(C)CC(C)CC(=O)OOC(C)(C)C
- Identifier:
- other: SMILES notation
- COOC(CC(=O)OC(C)(C)C)CC(C)(OOC)OOC
- Identifier:
- other: InChl
- InChI=1/C13H26O8/c1-12(2,3)18-11(14)8-10(19-15-5)9-13(4,20-16-6)21-17-7/h10H,8-9H2,1-7H3
- Identifier:
- other: InChl
- InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3
- IUPAC name: tert-butyl 3,5,5-tris(methylperoxy)hexanoate Correct EC name: tert-Butylperoxy-3,5,5-trimethylhexanoat (EC name mentioned above is wrong)
Molecular and structural information
- Molecular formula:
- C13H26O3
- Molecular weight:
- 230.3
- SMILES notation:
- CC(C)(C)OOC(=O)CC(C)CC(C)(C)C
- InChl:
- InChI=1/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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