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Bis(2-Ethylhexyl) Phosphite
CAS: 3658-48-8 | C16H35O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3658-48-8
Molecular Formula:
C16H35O3P
Molecular Mass:
306.43 g/mol
Names and Synonyms:
Bis(2-Ethylhexyl) Phosphite
Phosphonic acid, bis(2-ethylhexyl) ester
Bis(2-ethylhexyl) hydrogen phosphite
Bis(2-ethylhexyl) phosphite
Diisooctyl phosphite
Di-2-Ethylhexyl phosphite
Bis(2-ethylhexyl) phosphonate
Di-2-ethylhexyl hydrogen phosphite
Chelex H 8
Bis(2-ethylhexyl) phosphonic acid
Phosphonic acid di(2-ethylhexyl) ester
NSC 2664
JPE 208
Identifiers:
SMILES:
CCCCC(CC)CO[PH](=O)OCC(CC)CCCC
InChI:
InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3
Key Properties
Boiling Point
174 °C @ Press: 7 Torr
CAS Common Chemistry
Density
0.94 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 | 306.43 g/mol | CAS Common Chemistry |
| 306.4270000000001 g/mol | RDKit | |
| 306.23238161 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.940 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 174 °C @ Press: 7 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC(CC)CCCC)OCC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16,20H,5-14H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HZIUHEQKVCPTAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2-ethylhexyl) phosphite | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 5.8421000000000065 | RDKit |
| Molar Refractivity | 87.51750000000007 | RDKit |
