Back to Search
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 Mass:
140.08 g/mol
Names and Synonyms:
Trimethyl Phosphate
Phosphoric acid, trimethyl ester
Methyl phosphate, (MeO)3PO
Trimethyl phosphate
Trimethoxyphosphine oxide
Trimethyl orthophosphate
TMPA
TMPO
TMP
NSC 58985
Identifiers:
SMILES:
COP(=O)(OC)OC
InChI:
InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
Key Properties
Boiling Point
85 °C @ Press: 26 Torr
CAS Common Chemistry
Melting Point
-46 °C
CAS Common Chemistry
Density
1.21 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 | 140.08 g/mol | CAS Common Chemistry |
| 140.075 g/mol | RDKit | |
| 140.02384539800002 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2144 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_phosphate | CAS Common Chemistry |
| Boiling Point | 85 °C @ Press: 26 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WVLBCYQITXONBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -46 °C | CAS Common Chemistry |
| Name | Trimethyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 1.0337 | RDKit |
| Molar Refractivity | 28.633499999999987 | RDKit |
