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CAS No.: | 4071-88-9 |
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Name: | Ethyl (trimethylsilyl)acetate |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C7H16O2Si |
Molecular Weight: | 160.288 |
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; |
EINECS: | 223-783-2 |
Density: | 0.874 g/cm3 |
Boiling Point: | 157.5 °C at 760 mmHg |
Flash Point: | 35.8 °C |
Solubility: | Decomposes in water |
Appearance: | clear colorless liquid |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 3272 3/PG 3 |
PSA: | 26.30000 |
LogP: | 1.88770 |
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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