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| CAS No.: | 17689-77-9 |
|---|---|
| Name: | (Triacetoxy)ethylsilane |
| Molecular Structure: | |
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|
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| Formula: | C8H14O6Si |
| Molecular Weight: | 234.281 |
| Synonyms: | Silanetriol,ethyl-, triacetate (6CI,7CI,8CI,9CI);AC 3034;E 6345;Ethylsilanetrioltriacetate;Ethyltriacetoxysilane;Triacetoxyethylsilane;Tris(acetyloxy)ethylsilane;ethylsilanetriyl triacetate;silanetriol, 1-ethyl-, triacetate; |
| EINECS: | 241-677-4 |
| Density: | 1.133 g/cm3 |
| Melting Point: | 7-9 °C |
| Boiling Point: | 216.1 °C at 760 mmHg |
| Flash Point: | 70.3 °C |
| Solubility: | Hydrolyzes in water. |
| Appearance: | Colorless or yellowish transparent liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 78.90000 |
| LogP: | 0.63450 |
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Specification
The Silanetriol, 1-ethyl-,1,1,1-triacetate, with the CAS registry number 17689-77-9 and EINECS registry number 241-677-4, has the systematic name of ethylsilanetriyl triacetate. It is a kind of colorless or yellowish transparent liquid which is moisture sensitive. And the molecular formula of the chemical is C8H14O6Si.
The characteristics of Silanetriol, 1-ethyl-,1,1,1-triacetate are as followings: (1)ACD/LogP:1.90; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.9; (4)ACD/LogD (pH 7.4):1.9; (5)ACD/BCF (pH 5.5):16.4; (6)ACD/BCF (pH 7.4):16.4; (7)ACD/KOC (pH 5.5):257.76; (8)ACD/KOC (pH 7.4):257.76; (9)#H bond acceptors:6; (10)#H bond donors:0; (11)#Freely Rotating Bonds:7; (12)Polar Surface Area:78.9 Å2; (13)Index of Refraction:1.427; (14)Molar Refractivity:53.15 cm3; (15)Molar Volume:206.7 cm3; (16)Polarizability:21.07×10-24cm3; (17)Surface Tension:29.9 dyne/cm; (18)Density:1.133 g/cm3; (19)Flash Point:70.3 °C; (20)Enthalpy of Vaporization:45.25 kJ/mol; (21)Boiling Point:216.1 °C at 760 mmHg; (22)Vapour Pressure:0.142 mmHg at 25°C.
Uses of Silanetriol, 1-ethyl-,1,1,1-triacetate: It can react with 2-amino-ethanol to produce 2-amino-6-(2-hydroxy-ethylamino)-3H-pyrimidin-4-one. This reaction will need menstruum 2-methoxy-ethanol and H2O. The reaction time is 6 houra with heating, and the yield is about 75%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[Si](OC(=O)C)(OC(=O)C)CC)C
(2)InChI: InChI=1/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3
(3)InChIKey: KXJLGCBCRCSXQF-UHFFFAOYAK