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Molecule
Trigonox EHP-W 40
CAS: 16111-62-9 · C18H34O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16111-62-9
- Molecular Formula
- C18H34O6
- Molecular Mass
- 346.46 g/mol
Identifiers
CAS Registry Number
16111-62-9
SMILES
CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC
InChI Key
ZACVGCNKGYYQHA-UHFFFAOYSA-N
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
Names and Synonyms
- Trigonox EHP-W 40 Synonym
- 2-Ethylhexyl Peroxydicarbonate Synonym
- Peroxydicarbonic acid, C,C′-bis(2-ethylhexyl) ester Synonym
- Peroxydicarbonic acid, bis(2-ethylhexyl) ester Synonym
- Bis(2-ethylhexyl) peroxydicarbonate Synonym
- Di-2-ethylhexyl peroxydicarbonate Synonym
- Bis(2-ethylhexyl) perdicarbonate Synonym
- Bis(ethylhexyl) peroxydicarbonate Synonym
- Espercarb 840M Synonym
- 2-Ethylhexyl peroxydicarbonate Synonym
- Peroyl OPP Synonym
- Peroyl OPP 60E Synonym
- Trigonox EHP Synonym
- Lupersol 223 Synonym
- Trigonox EHP-C 75 Synonym
- Kayacarbon EH Synonym
- Luperox 223EN40 Synonym
- Luperox 223 Synonym
- 223EN40 Synonym
- Di-2-ethylhexyl percarbonate Synonym
- Lup 223 Synonym
- Luperox 223V75 Synonym
- EHP Synonym
- Luperox 226EN60 Synonym
- Luperox 223EN60H Synonym
- Di(2-ethylhexyl) peroxy carbonate Synonym
- Diethylhexyl peroxydicarbonate Synonym
- Trigonox EHPC Synonym
- Luperox 223M75 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.46 g/mol | CAS Common Chemistry |
| 346.46400000000017 g/mol | RDKit | |
| 346.464 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 |
| 5.6406 | RDKit | |
| Molar Refractivity | 91.47800000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 346.235538808 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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6
5
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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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 346.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H34O6.
