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Diisopropyl Peroxydicarbonate
CAS: 105-64-6 | C8H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-64-6
Molecular Formula:
C8H14O6
Molecular Mass:
206.19 g/mol
Names and Synonyms:
Diisopropyl Peroxydicarbonate
Peroxydicarbonic acid, C,C′-bis(1-methylethyl) ester
Peroxydicarbonic acid, diisopropyl ester
Peroxydicarbonic acid, bis(1-methylethyl) ester
Diisopropyl perdicarbonate
Diisopropyl peroxydicarbonate
Isopropyl peroxydicarbonate
Diisopropyl peroxydiformate
Luperox IPP
Di-iso-propyl peroxydicarbonate
Peroyl IPP
IPP
Diisopropyl percarbonate
Perkadox IPP
Bisisopropyl peroxydicarbonate
Kayacarbon I 20
Identifiers:
SMILES:
CC(C)OC(=O)OOC(=O)OC(C)C
InChI:
InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3
Key Properties
Boiling Point
47 °C @ Press: 100 Torr
CAS Common Chemistry
Melting Point
8-10 °C
CAS Common Chemistry
Density
1.08 g/cm³
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 | 206.19 g/mol | CAS Common Chemistry |
| 206.194 g/mol | RDKit | |
| 206.079038168 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.080 g/cm3 @ Temp: 15.5 °C | CAS Common Chemistry | |
| Boiling Point | 47 °C @ Press: 100 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OOC(=O)OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BWJUFXUULUEGMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8-10 °C | CAS Common Chemistry |
| Name | Diisopropyl peroxydicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 2.0246 | RDKit |
| Molar Refractivity | 45.40400000000002 | RDKit |
