Trimethylsilyl acetate

The Silanol,1,1,1-trimethyl-, 1-acetate, with the CAS registry number 2754-27-0, is also known as Acetoxytrimethylsilane. It belongs to the product categories of Silyl Esters; Si (Classes of Silicon Compounds); Si-O Compounds; C₂ to C₅; Carbonyl Compounds; Esters. Its EINECS number is 220-404-2. This chemical's molecular formula is C₅H₁₂O₂Si and molecular weight is 132.23. What's more, its systematic name is trimethylsilyl acetate. It should be sealed and stored in a cool and dry place.

Physical properties of Silanol,1,1,1-trimethyl-, 1-acetate are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/BCF (pH 5.5): 5.11; (5)ACD/KOC (pH 5.5): 111.87; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.39; (11)Molar Refractivity: 35.7 cm³; (12)Molar Volume: 150.2 cm³; (13)Surface Tension: 19.2 dyne/cm; (14)Density: 0.879 g/cm³; (15)Flash Point: 6 °C; (16)Enthalpy of Vaporization: 34.63 kJ/mol; (17)Boiling Point: 107.5 °C at 760 mmHg; (18)Vapour Pressure: 27 mmHg at 25°C.

Preparation: this chemical can be prepared by hexamethyl-disilathiane, diacetoxy-dimethyl-silane by heating. The reaction time is 15 hours. The yield is about 98%.

Uses of Silanol,1,1,1-trimethyl-, 1-acetate: it can be used to produce 1-acetoxy-2-fluoro-1-phenylethane at the ambient temperature. It will need reagent N-fluoropentachloropyridinium triflate with the reaction time of 3 days. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](C)(C)C)C
(2)InChI: InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3
(3)InChIKey: QHUNJMXHQHHWQP-UHFFFAOYSA-N