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Triethyl Phosphate
CAS: 78-40-0 | C6H15O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-40-0
Molecular Formula:
C6H15O4P
Molecular Mass:
182.16 g/mol
Names and Synonyms:
Triethyl Phosphate
Phosphoric acid, triethyl ester
Ethyl phosphate
Triethyl phosphate
TEP
Triethoxyphosphine oxide
Levagard TEP
NSC 2677
Fyrol TEP
Levagard TEP-Z
SP 0724
Tri-n-ethyl phosphate
Disflamoll TEP
Identifiers:
SMILES:
CCOP(=O)(OCC)OCC
InChI:
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
215-216 °C
CAS Common Chemistry
Melting Point
-56.4 °C
CAS Common Chemistry
Density
1.07 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 | 182.16 g/mol | CAS Common Chemistry |
| 182.15599999999998 g/mol | RDKit | |
| 182.07079559 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0725 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethyl_phosphate | CAS Common Chemistry |
| Boiling Point | 215-216 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DQWPFSLDHJDLRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -56.4 °C | CAS Common Chemistry |
| Name | Triethyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 2.2039999999999997 | RDKit |
| Molar Refractivity | 42.48450000000001 | RDKit |
