Methyltriacetoxysilane

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%.

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: