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| CAS No.: | 18269-64-2 |
|---|---|
| Name: | TRIMETHYLSILYL CROTONATE |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C7H14O2Si |
| Molecular Weight: | 158.272 |
| Synonyms: | Crotonicacid, trimethylsilyl ester (7CI,8CI);Trimethylsilyl crotonate;Silanol, trimethyl-, crotonate (8CI); |
| Density: | 0.894 g/cm3 |
| Boiling Point: | 138.8 °C at 760 mmHg |
| Flash Point: | 31.5 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 1.94060 |
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Specification
This chemical is called 2-Butenoic acid, trimethylsilyl ester, and it can also be named as Trimethylsilyl crotonate. With the molecular formula of C7H14O2Si, its molecular weight is 158.27. The CAS registry number of this chemical is 18269-64-2.
Other characteristics of the 2-Butenoic acid, trimethylsilyl ester can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.41; (6)ACD/BCF (pH 7.4): 36.41; (7)ACD/KOC (pH 5.5): 456.18; (8)ACD/KOC (pH 7.4): 456.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 45.02 cm3; (15)Molar Volume: 176.9 cm3; (16)Polarizability: 17.85×10-24cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Density: 0.894 g/cm3; (19)Flash Point: 31.5 °C; (20)Enthalpy of Vaporization: 37.61 kJ/mol; (21)Boiling Point: 138.8 °C at 760 mmHg; (22)Vapour Pressure: 6.61 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O[Si](C)(C)C)/C=C/C
2.InChI: InChI=1/C7H14O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H,1-4H3/b6-5+
3.InChIKey: VZRSIPIZCRNSAV-AATRIKPKBR