CAS No.512-56-1,Trimethyl phosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	512-56-1
Name:	Trimethyl phosphate
Article Data:	152

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

Synthetic route

: 67-56-1
methanol

: 512-56-1
trimethyl phosphite

Conditions

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%

: 121-45-9
phosphorous acid trimethyl ester

: 512-56-1
trimethyl phosphite

Conditions

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;

: 121-45-9
phosphorous acid trimethyl ester

A: 512-56-1
trimethyl phosphite

B: 77-78-1
dimethyl sulfate

Conditions

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

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

Conditions	Yield
With cesium fluoride at 65℃; for 22h;	A 79% B 88%

...Expand

: 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

Conditions	Yield
With cesium fluoride at 65℃; for 22h;	A 67% B 88%

...Expand

: 7357-14-4
p-methoxyphenyl dimethyl phosphate

A: 512-56-1
trimethyl phosphite

B: 150-76-5
4-methoxy-phenol

Conditions

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

Conditions	Yield
With methanol; cesium fluoride at 65℃; for 22h;	A 67% B 88%

: 67-56-1
methanol

A: 512-56-1
trimethyl phosphite

B: 812-00-0
methylphosphate

C: 813-78-5
dimethylphosphoric acid

Conditions

Conditions	Yield
With phosphorus; tetraethylammonium iodide In water; acetonitrile electrolysis;	A 82% B n/a C n/a

...Expand

: 67-56-1
methanol

: 10113-28-7
dimethyl phenyl phosphate

A: 512-56-1
trimethyl phosphite

B: 108-95-2
phenol

Conditions

Conditions	Yield
With cesium fluoride at 65℃; for 4h;	A 80% B 65%

...Expand

Raw Materials

868-85-9

950-35-6

799-87-1

822-06-0

Downstream Products

80-48-8

Total:152 Page 1 of 4 1 2 3 4 Next>>

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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.

Trimethyl phosphate can be prepared by methanol and trichlorooxyphosphorus in the presence of potassium carbonate

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%.

Trimethyl phosphate can react with pyridine to get 1-methyl-pyridinium; dimethyl phosphate

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.