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Diphenyl(2-Ethylhexyl) Phosphite
CAS: 15647-08-2 | C20H27O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15647-08-2
Molecular Formula:
C20H27O3P
Molecular Mass:
346.41 g/mol
Names and Synonyms:
Diphenyl(2-Ethylhexyl) Phosphite
Phosphorous acid, 2-ethylhexyl diphenyl ester
2-Ethylhexyl diphenyl phosphite
Diphenyl(2-ethylhexyl) phosphite
Forstab K 201
Mono(2-ethylhexyl) diphenyl phosphite
Forstab
Doverphos 9EH
Diphenyl mono(2-ethylhexyl) phosphite
Weston EHDP
JPM 308
Markphos EHDP
Identifiers:
SMILES:
CCCCC(CC)COP(Oc1ccccc1)Oc1ccccc1
InChI:
InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
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 | 346.41 g/mol | CAS Common Chemistry |
| 346.40700000000004 g/mol | RDKit | |
| 346.169781354 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XKZGIJICHCVXFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyl(2-ethylhexyl) phosphite | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.6043000000000065 | RDKit |
| Molar Refractivity | 100.31800000000005 | RDKit |
