Back to Search
2,2-Bis(Tert-Butylperoxy)Butane
CAS: 2167-23-9 | C12H26O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2167-23-9
Molecular Formula:
C12H26O4
Molecular Mass:
234.34 g/mol
Names and Synonyms:
2,2-Bis(Tert-Butylperoxy)Butane
Peroxide, 1,1′-(1-methylpropylidene)bis[2-(1,1-dimethylethyl)
Trigonox D-C 50
2,2-Bis(tert-butylperoxybutane)
Luperox 220M50
2,2-Di-tert-butylperoxybutane
Peroxide, sec-butylidenebis[tert-butyl
Peroxide, (1-methylpropylidene)bis[(1,1-dimethylethyl)
1,1′-(1-Methylpropylidene)bis[2-(1,1-dimethylethyl) peroxide]
3,4,6,7-Tetraoxanonane, 5-ethyl-2,2,5,8,8-pentamethyl-
2,2-Bis(tert-butylperoxy)butane
VP 1200
2,2-Di(tert-butylperoxy)butane
Chaloxyd P 1293AL
Chaloxyd P 1200AL
Lupersol 220
Trigonox DB 50
2,2-Bis(tert-butyldioxy)butane
Trigonox DM 50
sec-Butylidenebis[tert-butyl peroxide]
Perhexa 22
Trigonox D
Trigonox D-E 50
Perhexa 22-50S
NSC 5626
DB 50
Identifiers:
SMILES:
CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChI:
InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3
Key Properties
Boiling Point
41 °C @ Press: 1 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.34 g/mol | CAS Common Chemistry |
| 234.33599999999993 g/mol | RDKit | |
| 234.183109312 g/mol | RDKit | |
| Boiling Point | 41 °C @ Press: 1 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 62.54200000000006 | RDKit |
