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Molecule
2,2-Bis(Tert-Butylperoxy)Butane
CAS: 2167-23-9 · C12H26O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2167-23-9
- Molecular Formula
- C12H26O4
- Molecular Mass
- 234.34 g/mol
Identifiers
CAS Registry Number
2167-23-9
SMILES
CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChI Key
HQOVXPHOJANJBR-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3
Names and Synonyms
- 2,2-Bis(Tert-Butylperoxy)Butane Synonym
- Peroxide, 1,1′-(1-methylpropylidene)bis[2-(1,1-dimethylethyl) Synonym
- Trigonox D-C 50 Synonym
- 2,2-Bis(tert-butylperoxybutane) Synonym
- Luperox 220M50 Synonym
- 2,2-Di-tert-butylperoxybutane Synonym
- Peroxide, sec-butylidenebis[tert-butyl Synonym
- Peroxide, (1-methylpropylidene)bis[(1,1-dimethylethyl) Synonym
- 1,1′-(1-Methylpropylidene)bis[2-(1,1-dimethylethyl) peroxide] Synonym
- 3,4,6,7-Tetraoxanonane, 5-ethyl-2,2,5,8,8-pentamethyl- Synonym
- 2,2-Bis(tert-butylperoxy)butane Synonym
- VP 1200 Synonym
- 2,2-Di(tert-butylperoxy)butane Synonym
- Chaloxyd P 1293AL Synonym
- Chaloxyd P 1200AL Synonym
- Lupersol 220 Synonym
- Trigonox DB 50 Synonym
- 2,2-Bis(tert-butyldioxy)butane Synonym
- Trigonox DM 50 Synonym
- sec-Butylidenebis[tert-butyl peroxide] Synonym
- Perhexa 22 Synonym
- Trigonox D Synonym
- Trigonox D-E 50 Synonym
- Perhexa 22-50S Synonym
- NSC 5626 Synonym
- DB 50 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.34 g/mol | CAS Common Chemistry |
| 234.33599999999993 g/mol | RDKit | |
| 234.336 g/mol | RDKit | |
| Canonical SMILES | O(OC(C)(C)C)C(OOC(C)(C)C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HQOVXPHOJANJBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Bis(tert-butylperoxy)butane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 3.6060000000000025 | RDKit |
| 3.606 | RDKit | |
| 3.77 | chempirical lib | |
| Molar Refractivity | 62.54200000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 234.183109312 g/mol | RDKit |
| Boiling Point | 41 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 234.34 g/mol. Edit any field — others recompute live.
