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Ethyl (trimethylsilyl)acetate

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Ethyl (trimethylsilyl)acetate

EINECS 223-783-2
CAS No. 4071-88-9 Density 0.874 g/cm3
PSA 26.30000 LogP 1.88770
Solubility Decomposes in water Melting Point N/A
Formula C7H16O2Si Boiling Point 157.5 °C at 760 mmHg
Molecular Weight 160.288 Flash Point 35.8 °C
Transport Information UN 3272 3/PG 3 Appearance clear colorless liquid
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 4071-88-9 (Ethyl (trimethylsilyl)acetate) Hazard Symbols R10:;
Synonyms

2-(Trimethylsilyl)acetic acid ethyl ester;Ethyl 2-(trimethylsilyl)acetate;Ethyl a-(trimethylsilyl)acetate;NSC108051;NSC 234752;Aceticacid, (trimethylsilyl)-, ethyl ester (7CI,8CI,9CI);(Trimethylsilyl)acetic acidethyl ester;

Article Data 24

Ethyl (trimethylsilyl)acetate Specification

The systematic name of this chemical is ethyl (trimethylsilyl)acetate. With the CAS registry number 4071-88-9, it is also named as Acetic acid, 2-(trimethylsilyl)-, ethyl ester. The product's categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry. It is clear colorless liquid which is sensitive to moisture. And this chemical is flammable, so people should keep it away from sources of ignition. Additionally, it should be sealed in the container and stored in the well- ventilated and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.62; (6)ACD/BCF (pH 7.4): 30.62; (7)ACD/KOC (pH 5.5): 402.98; (8)ACD/KOC (pH 7.4): 402.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.405; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 183.3 cm3; (16)Polarizability: 17.82×10-24 cm3; (17)Surface Tension: 21.4 dyne/cm; (18)Density: 0.874 g/cm3; (19)Flash Point: 35.8 °C; (20)Enthalpy of Vaporization: 39.42 kJ/mol; (21)Boiling Point: 157.5 °C at 760 mmHg; (22)Vapour Pressure: 2.75 mmHg at 25°C.

Preparation of Ethyl trimethylsilylacetate: It can be obtained by carbonochloridic acid ethyl ester and (trimethylsilanyl-methyl)-magnesium chloride. This reaction needs reagent diethyl ether.

Uses of Ethyl trimethylsilylacetate: It can react with 3-phenyl-propan-1-ol to get trimethyl-(3-phenyl-propoxy)-silane. This reaction needs reagent F and solvent tetrahydrofuran.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(OCC)C[Si](C)(C)C
2. InChI:InChI=1/C7H16O2Si/c1-5-9-7(8)6-10(2,3)4/h5-6H2,1-4H3 
3. InChIKey:QQFBQBDINHJDMN-UHFFFAOYAE

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