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Trimethyl Phosphate
CAS: 512-56-1 | C3H9O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
512-56-1
Molecular Formula:
C3H9O4P
Molecular Weight:
140.075 g/mol
Names and Synonyms:
Trimethyl Phosphate
NSC 58985
TMP
TMPO
TMPA
Trimethyl orthophosphate
Trimethoxyphosphine oxide
Trimethyl phosphate
Methyl phosphate, (MeO)3PO
Phosphoric acid, trimethyl ester
Identifiers:
SMILES:
COP(=O)(OC)OC
InChI:
InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.075 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.02384539800002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0337 | RDKit |
| molecular_mass | 140.08 g/mol | Legacy Database |
| density | 1.21 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethyl_phosphate None | Legacy Database |
| cas-boiling-point | 85 °C @ Press: 26 Torr None | Legacy Database |
| cas-canonical-smile | O=P(OC)(OC)OC None | Legacy Database |
| cas-density | 1.2144 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WVLBCYQITXONBZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -46 °C None | Legacy Database |
| cas-name | Trimethyl phosphate None | Legacy Database |
| wikipedia-name | Trimethyl phosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.633499999999987 | RDKit |
