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Methyltriacetoxysilane

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Name

Methyltriacetoxysilane

EINECS 224-221-9
CAS No. 4253-34-3 Density 1.158 g/cm3
PSA 78.90000 LogP 0.24440
Solubility 1000g/L at 20℃ Melting Point 40-45 °C(lit.)
Formula C7H12O6Si Boiling Point 221.258 °C at 760 mmHg
Molecular Weight 220.254 Flash Point 85 °C
Transport Information UN1759 Appearance Colorless or yellowish transparent liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4253-34-3 (Methyltriacetoxysilane) Hazard Symbols IrritantXi
Synonyms

Silanetriol,methyl-, triacetate (6CI,7CI,8CI,9CI);APK 1 (silane derivative);K 10S;Methylsilanetriol triacetate;Methyltrihydroxysilanetriacetate;NSC 139845;SIM 6519;SIM 6519.0;TSL 8180;Triacetoxymethylsilane;Triacetylmethylsilane;

Article Data 16

Methyltriacetoxysilane Synthetic route

75-79-6

Methyltrichlorosilane

4253-34-3

methyltriacetoxysilane

Conditions
ConditionsYield
With (CH3CO)2O91%
With acetic anhydride91%
With NaCH3COO In diethyl ether
75-79-6

Methyltrichlorosilane

108-24-7

acetic anhydride

4253-34-3

methyltriacetoxysilane

Conditions
ConditionsYield
at 20 - 110℃;75%
75-79-6

Methyltrichlorosilane

127-09-3

sodium acetate

4253-34-3

methyltriacetoxysilane

993-00-0

chloro-methyl-silane

127-09-3

sodium acetate

4253-34-3

methyltriacetoxysilane

Conditions
ConditionsYield
With diethyl ether
75-79-6

Methyltrichlorosilane

64-19-7

acetic acid

4253-34-3

methyltriacetoxysilane

Conditions
ConditionsYield
With pyridine In diethyl ether
75-77-4

chloro-trimethyl-silane

108-24-7

acetic anhydride

4253-34-3

methyltriacetoxysilane

Conditions
ConditionsYield
With sodium acetate at 60℃; for 4h;
139-13-9

nitrilotriacetic acid

4253-34-3

methyltriacetoxysilane

1-methylsilatrane-3,7,10-trione

Conditions
ConditionsYield
at 90 - 100℃; under 2 Torr; for 2h;97%
4253-34-3

methyltriacetoxysilane

2-[Bis-(2-hydroxy-ethyl)-amino]-N-methyl-acetamide

1,2-dimethyl-2-azasilatran-3-one

Conditions
ConditionsYield
In chloroform at 22℃; for 12h; Time; Inert atmosphere;40%
4253-34-3

methyltriacetoxysilane

Nα,Nα-bis(-2-hydroxyethyl)glycine amide

1-methyl-2-azasilatran-3-one

Conditions
ConditionsYield
In chloroform at 22℃; for 12h; Time; Inert atmosphere;27%
71-23-8

propan-1-ol

4253-34-3

methyltriacetoxysilane

5581-66-8

methyltripropoxysilane

Methyltriacetoxysilane Consensus Reports

Reported in EPA TSCA Inventory.

Methyltriacetoxysilane Specification

The Methyltriacetoxysilane, with the CAS registry number 4253-34-3, is also known as Triacetoxy(methyl)silane. It belongs to the product categories of Alkyl; Silicone series; Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Silyl Esters; Si-O Compounds; Acetoxy Silanes; Crosslinkers; Crosslinking Agents. Its EINECS number is 224-221-9. This chemical's molecular formula is C7H12O6Si and molecular weight is 220.25. What's more, its systematic name is Methylsilanetriyl triacetate. This chemical is stable at normal temperature and pressure. It can produced by the reaction of Methyltrichlorosilane and potassium acetate or acetic anhydride. It can be used as adhesive for plastic, nylon, ceramic, aluminum with silicon rubber. It also can be used as inhibitor and additive agents.

Physical properties of Methyltriacetoxysilane are: (1)ACD/LogP: 0.883; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.76; (6)ACD/BCF (pH 7.4): 2.76; (7)ACD/KOC (pH 5.5): 71.98; (8)ACD/KOC (pH 7.4): 71.98; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 48.521 cm3; (15)Molar Volume: 190.266 cm3; (16)Polarizability: 19.235×10-24cm3; (17)Surface Tension: 29.7 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 45.77 kJ/mol; (21)Boiling Point: 221.258 °C at 760 mmHg; (22)Vapour Pressure: 0.1 mmHg at 25°C.

Preparation: this chemical can be prepared by azanetriyl-tris-acetic acid and triacetoxy-methyl-silane at the temperature of 90 - 100°C. The reaction time is 2 hours. The yield is about 97%.

Methyltriacetoxysilane can be prepared by azanetriyl-tris-acetic acid and triacetoxy-methyl-silane at the temperature of 90 - 100°C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](OC(=O)C)(OC(=O)C)C)C
(2)Std. InChI: InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3
(3)Std. InChIKey: TVJPBVNWVPUZBM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2060mg/kg (2060mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1229, 1986.

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