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Molecule
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
Identifiers
CAS Registry Number
3658-48-8
SMILES
CCCCC(CC)CO[PH](=O)OCC(CC)CCCC
InChI Key
HZIUHEQKVCPTAJ-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(2-Ethylhexyl) Phosphite Common Name
- Phosphonic acid, bis(2-ethylhexyl) ester Synonym
- Bis(2-ethylhexyl) hydrogen phosphite Synonym
- Bis(2-ethylhexyl) phosphite Synonym
- Diisooctyl phosphite Synonym
- Di-2-Ethylhexyl phosphite Synonym
- Bis(2-ethylhexyl) phosphonate Synonym
- Di-2-ethylhexyl hydrogen phosphite Synonym
- Chelex H 8 Synonym
- Bis(2-ethylhexyl) phosphonic acid Synonym
- Phosphonic acid di(2-ethylhexyl) ester Synonym
- NSC 2664 Synonym
- JPE 208 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.43 g/mol | CAS Common Chemistry |
| 306.4270000000001 g/mol | RDKit | |
| 306.427 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.940 g/cm3 @ 25 °C | 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 |
| 5.8421 | RDKit | |
| 6.04 | chempirical lib | |
| Molar Refractivity | 87.51750000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 306.23238161 g/mol | RDKit |
| Boiling Point | 174 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 306.43 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H35O3P.
