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Triethyl Phosphite
CAS: 122-52-1 | C6H15O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-52-1
Molecular Formula:
C6H15O3P
Molecular Mass:
166.16 g/mol
Names and Synonyms:
Triethyl Phosphite
Phosphorous acid, triethyl ester
Ethyl phosphite, (EtO)3P
Ethyl phosphite, Et3PO3
Tris(ethoxy)phosphine
Triethoxyphosphine
Triethyl phosphite
NSC 5284
Identifiers:
SMILES:
CCOP(OCC)OCC
InChI:
InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
157.9 °C
CAS Common Chemistry
Melting Point
-112 °C
CAS Common Chemistry
Density
0.96 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 | 166.16 g/mol | CAS Common Chemistry |
| 166.15699999999998 g/mol | RDKit | |
| 166.07588097 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9629 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethyl_phosphite | CAS Common Chemistry |
| Boiling Point | 157.9 °C | CAS Common Chemistry |
| Canonical SMILES | O(P(OCC)OCC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BDZBKCUKTQZUTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -112 °C | CAS Common Chemistry |
| Name | Triethyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.3228 | RDKit |
| Molar Refractivity | 41.798000000000016 | RDKit |
