Back to Search
Molecule
1,1-Bis(Tert-Butylperoxy)Cyclohexane
CAS: 3006-86-8 · C14H28O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3006-86-8
- Molecular Formula
- C14H28O4
- Molecular Mass
- 260.37 g/mol
Identifiers
CAS Registry Number
3006-86-8
SMILES
CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1
InChI Key
HSLFISVKRDQEBY-UHFFFAOYSA-N
InChI
InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3
Names and Synonyms
- 1,1-Bis(Tert-Butylperoxy)Cyclohexane Synonym
- Peroxide, 1,1′-cyclohexylidenebis[2-(1,1-dimethylethyl) Synonym
- Peroxide, cyclohexylidenebis[tert-butyl Synonym
- Peroxide, cyclohexylidenebis[(1,1-dimethylethyl) Synonym
- 1,1′-Cyclohexylidenebis[2-(1,1-dimethylethyl) peroxide] Synonym
- 1,1-Bis(tert-butylperoxy)cyclohexane Synonym
- Lupersol 331-80B Synonym
- 1,1-di(tert-Butylperoxy)cyclohexane Synonym
- Chaloxyd P 1250AL Synonym
- Trigonox 22B50 Synonym
- Lupersol 331 Synonym
- Lupersol 321 Synonym
- Trigonox 22B75 Synonym
- 1,1-Bis(tert-butyldioxy)cyclohexane Synonym
- USP 400 Synonym
- Luperco 331XL Synonym
- Trigonox 22 Synonym
- 1,1-Di(t-butylperoxy)cyclohexane Synonym
- Perhexa C Synonym
- Luperox 331M50 Synonym
- CH 50-AL Synonym
- USP 400P Synonym
- Trigonox 22C50 Synonym
- Luperox 331 Synonym
- L 331 Synonym
- DP 275B Synonym
- Perhexa C 40 Synonym
- Trigonox 22E70 Synonym
- Luperox 331M80 Synonym
- Perhexa CS Synonym
- Perhexa C 75 Synonym
- Trigonox 22E50 Synonym
- Peroxan PK 122W Synonym
- Tx 22E50 Synonym
- Luperox 331M70 Synonym
- CH 80 Synonym
- CH 80 (vulcanizer) Synonym
- 1,1-Bis(1,1-dimethylethylperoxy)cyclohexane Synonym
- Perhexa C 80 Synonym
- 1,1-Bis(t-butylperoxy)cyclohexane Synonym
- Luperox 331XL Synonym
- Luperox 331P80 Synonym
- PHC 40 Synonym
- Trigonox 22-70E Synonym
- Perhexa C 79S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.37 g/mol | CAS Common Chemistry |
| 260.37399999999997 g/mol | RDKit | |
| 260.374 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.941 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(OC1(OOC(C)(C)C)CCCCC1)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HSLFISVKRDQEBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Bis(tert-butylperoxy)cyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.140200000000004 | RDKit |
| 4.1402 | RDKit | |
| 4.3 | chempirical lib | |
| Molar Refractivity | 69.66200000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 260.198759376 g/mol | RDKit |
| Boiling Point | 52-54 °C @ 0.15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 260.37 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
