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| CAS No.: | 512-56-1 |
|---|---|
| Name: | Trimethyl phosphate |
| Molecular Structure: | |
|
|
|
| Formula: | C3H9O4P |
| Molecular Weight: | 140.076 |
| Synonyms: | Methylphosphate, (MeO)3PO (6CI);Trimethoxyphosphineoxide;Trimethyl orthophosphate;Trimethylphosphoric acid; |
| EINECS: | 208-144-8 |
| Density: | 1.154 g/cm3 |
| Melting Point: | -46 °C |
| Boiling Point: | 197.2 °C at 760 mmHg |
| Flash Point: | 83.7 °C |
| Solubility: | 500 G/L (25 ºC) |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xn, T
|
| Risk Codes: | 46-40-68-45-20/21/22 |
| Safety: | 53-36/37-45-36/37/39 |
| Transport Information: | UN 2810 |
| PSA: | 54.57000 |
| LogP: | 1.03370 |
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| Conditions | Yield |
|---|---|
| With sodium hypophosphite; copper dichloride at 24.9℃; for 173h; | 100% |
| With phosphorous; phosphoric acid tributyl ester; oxygen; copper dichloride In benzene at 30℃; | 98.2% |
| With trichlorophosphate In acetone at 10 - 30℃; under 10 Torr; for 4h; | 97.5% |
| Conditions | Yield |
|---|---|
| With sulfur trioxide In dichloromethane at -95℃; | 100% |
| With dihydrogen peroxide In pyridine at -20℃; adding different FeIII compounds; determination of half-lives of reactions; | |
| With naphthalene-1,4-dicarbonitrile; water In water; acetonitrile Irradiation; |
| Conditions | Yield |
|---|---|
| With sulfur trioxide In dichloromethane at -50℃; | A 7% B 93% |
- 122203-30-9
dimethyl (Z)-α-methoxyiminobenzylphosphonate
A
- 512-56-1
trimethyl phosphite
B
- 100-47-0
benzonitrile
| Conditions | Yield |
|---|---|
| at 140℃; for 0.5h; Product distribution; reflux in 1,2,4-trimethylbenzene, 72 h; | A 85% B 92% |
- 67-56-1
methanol
- 7357-14-4
p-methoxyphenyl dimethyl phosphate
A
- 512-56-1
trimethyl phosphite
B
- 150-76-5
4-methoxy-phenol
| Conditions | Yield |
|---|---|
| With cesium fluoride at 65℃; for 22h; | A 79% B 88% |
- 67-56-1
methanol
- 74532-26-6, 74532-27-7
1-decenyl dimethyl phosphate
A
- 512-56-1
trimethyl phosphite
B
- 112-31-2
caprinaldehyde
| Conditions | Yield |
|---|---|
| With cesium fluoride at 65℃; for 22h; | A 67% B 88% |
| Conditions | Yield |
|---|---|
| With methanol; cesium fluoride at 65℃; for 22h; | A 79% B 88% |
- 74532-26-6, 74532-27-7
1-decenyl dimethyl phosphate
A
- 512-56-1
trimethyl phosphite
B
- 112-31-2
caprinaldehyde
| Conditions | Yield |
|---|---|
| With methanol; cesium fluoride at 65℃; for 22h; | A 67% B 88% |
| Conditions | Yield |
|---|---|
| With phosphorus; tetraethylammonium iodide In water; acetonitrile electrolysis; | A 82% B n/a C n/a |
| Conditions | Yield |
|---|---|
| With cesium fluoride at 65℃; for 4h; | A 80% B 65% |
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Consensus Reports
.
Specification
The IUPAC name of this chemical is Trimethyl phosphate. With the CAS registry number 512-56-1 and EINECS registry number 208-144-8, it is also named as Phosphoric acid,trimethyl ester. In addition, the molecular formula is C3H9O4P and the molecular weight is 140.07. It is a kind of clear liquid and belongs to the classes of Organics; Functional Materials; Phosphates (Plasticizer); Plasticizer; Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds.
Physical properties about this chemical are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.46; (7)ACD/KOC (pH 7.4): 12.46; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 54.57 Å2; (11)Index of Refraction: 1.379; (12)Molar Refractivity: 28.05 cm3; (13)Molar Volume: 121.2 cm3; (14)Polarizability: 11.12 ×10-24cm3; (15)Surface Tension: 29.4 dyne/cm; (16)Density: 1.154 g/cm3; (17)Flash Point: 83.7 °C; (18)Enthalpy of Vaporization: 41.57 kJ/mol; (19)Boiling Point: 197.2 °C at 760 mmHg; (20)Vapour Pressure: 0.539 mmHg at 25°C.
Preparation of Trimethyl phosphate: it can be prepared by methanol and trichlorooxyphosphorus in the presence of potassium carbonate. Add methanol and potassium carbonate into reactor at reaction temperature of 5 °C. Then add trichlorooxyphosphorus into the mixture in 2 hours with stirring. The temperature should be controlled below 30 °C. Then add dimethyl sulfate and reflux for 3 hours. At last, you can go through the operation of cooling, filtering by carbon tetrachloride, vacuum distillation and drying to get the products.
Uses of Trimethyl phosphate: this chemical is a mild methylating agent, useful for preparing dimethylation of anilines and related heterocyclic compounds.And it is mianly used as solvent and extractant for medicine and pesticide. Also it can be used as a color inhibitor for fibers, flame retardants and plasticizer. In addition, it can react with pyridine to get 1-methyl-pyridinium; dimethyl phosphate. The reaction time is 5 hours by heating. The yield is about 92%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. And it may cause heritable genetic damage and cancer. In addition, it has risk of irreversible effects Possibly. There is limited evidence of a carcinogenic effect. Avoid exposure - obtain special instruction before use. During using it, wear suitable protective clothing, gloves and eye/face protection. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OC)(OC)OC
(2)InChI: InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
(3)InChIKey: WVLBCYQITXONBZ-UHFFFAOYAV
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1676mg/kg (1676mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1129, 1986. | |
| mouse | LD50 | intraperitoneal | 2250mg/kg (2250mg/kg) | Therapie. Vol. 15, Pg. 237, 1960. | |
| mouse | LD50 | oral | 1470mg/kg (1470mg/kg) | Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, | |
| mouse | LD50 | unreported | 540mg/kg (540mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 37, 1978. |
| quail | LD50 | oral | 750mg/kg (750mg/kg) | Journal of Reproduction and Fertility. Vol. 48, Pg. 371, 1976. | |
| rabbit | LD50 | oral | 1275mg/kg (1275mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 338, 1946. |
| rabbit | LD50 | skin | 2830uL/kg (2.83mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| rat | LD50 | oral | 840mg/kg (840mg/kg) | Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, | |
| rat | LD50 | unreported | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 17, Pg. 37, 1978. |
| rat | LDLo | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES | Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959. |
| rat | LDLo | intravenous | 2400mg/kg (2400mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Nature. Vol. 179, Pg. 154, 1957. |