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Molecule
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
Identifiers
CAS Registry Number
512-56-1
SMILES
COP(=O)(OC)OC
InChI Key
WVLBCYQITXONBZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
Names and Synonyms
- Trimethyl Phosphate Common Name
- Phosphoric acid, trimethyl ester Synonym
- Methyl phosphate, (MeO)3PO Synonym
- Trimethyl phosphate Synonym
- Trimethoxyphosphine oxide Synonym
- Trimethyl orthophosphate Synonym
- TMPA Synonym
- TMPO Synonym
- TMP Synonym
- NSC 58985 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.08 g/mol | CAS Common Chemistry |
| 140.075 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2144 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_phosphate | 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 |
| 44.76 Ų | RDKit | |
| LogP | 1.0337 | RDKit |
| Molar Refractivity | 28.633499999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 140.02384539800002 g/mol | RDKit |
| Boiling Point | 85 °C @ 26 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 140.08 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
