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Molecule
Di-Tert-Butyl Peroxide
CAS: 110-05-4 · C8H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-05-4
- Molecular Formula
- C8H18O2
- Molecular Mass
- 146.23 g/mol
Identifiers
CAS Registry Number
110-05-4
SMILES
CC(C)(C)OOC(C)(C)C
InChI Key
LSXWFXONGKSEMY-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
Names and Synonyms
- Di-Tert-Butyl Peroxide Synonym
- Peroxide, bis(1,1-dimethylethyl) Synonym
- tert-Butyl peroxide Synonym
- Bis(1,1-dimethylethyl) peroxide Synonym
- Cadox TBP Synonym
- DTBP Synonym
- Bis(tert-butyl) peroxide Synonym
- Trigonox B Synonym
- Perbutyl D Synonym
- B 50Elq Synonym
- Interox DTB Synonym
- Kayabutyl D Synonym
- Peroximon DB Synonym
- Luperox DI Synonym
- TC 4 Synonym
- TC 4 (catalyst) Synonym
- Di-t-butylperoxide Synonym
- NSC 673 Synonym
- DTBP (peroxide) Synonym
- Peroxan DB Synonym
- Di-tert-butyl peroxide Synonym
- DTPB Synonym
- TC 4N Synonym
- 2-(tert-Butylperoxy)-2-methylpropane Synonym
- B 100924 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.23 g/mol | CAS Common Chemistry |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7910 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Di-tert-butyl_peroxide | CAS Common Chemistry |
| Boiling Point | 111 °C | CAS Common Chemistry |
| Canonical SMILES | O(OC(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LSXWFXONGKSEMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | tert-Butyl peroxide | CAS Common Chemistry |
| Di-tert-butyl peroxide | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.531600000000001 | RDKit |
| 2.5316 | RDKit | |
| Molar Refractivity | 41.67600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 146.130679816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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40
20
0 ppm
| 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.
External Resources
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MW = 146.23 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O2.
