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2-Ethylhexyl Peroxydicarbonate
CAS: 16111-62-9 | C18H34O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16111-62-9
Molecular Formula:
C18H34O6
Molecular Mass:
346.46 g/mol
Names and Synonyms:
2-Ethylhexyl Peroxydicarbonate
Peroxydicarbonic acid, C,C′-bis(2-ethylhexyl) ester
Peroxydicarbonic acid, bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) peroxydicarbonate
Di-2-ethylhexyl peroxydicarbonate
Bis(2-ethylhexyl) perdicarbonate
Bis(ethylhexyl) peroxydicarbonate
Espercarb 840M
2-Ethylhexyl peroxydicarbonate
Peroyl OPP
Peroyl OPP 60E
Trigonox EHP
Lupersol 223
Trigonox EHP-W 40
Trigonox EHP-C 75
Kayacarbon EH
Luperox 223EN40
Luperox 223
223EN40
Di-2-ethylhexyl percarbonate
Lup 223
Luperox 223V75
EHP
Luperox 226EN60
Luperox 223EN60H
Di(2-ethylhexyl) peroxy carbonate
Diethylhexyl peroxydicarbonate
Trigonox EHPC
Luperox 223M75
Identifiers:
SMILES:
CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC
InChI:
InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
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 | 346.46 g/mol | CAS Common Chemistry |
| 346.46400000000017 g/mol | RDKit | |
| 346.235538808 g/mol | RDKit | |
| Canonical SMILES | O=C(OOC(=O)OCC(CC)CCCC)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZACVGCNKGYYQHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylhexyl peroxydicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 5.640600000000006 | RDKit |
| Molar Refractivity | 91.47800000000008 | RDKit |
