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| CAS No.: | 16883-61-7 |
|---|---|
| Name: | TRIMETHYLSILYL ISOBUTYRATE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H16O2Si |
| Molecular Weight: | 160.288 |
| Synonyms: | Isobutyricacid, trimethylsilyl ester (8CI); |
| Density: | 0.873 g/cm3 |
| Boiling Point: | 134.249 °C at 760 mmHg |
| Flash Point: | 29.242 °C |
| Appearance: | clear colorless liquid |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 2.02050 |
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Specification
The Propanoic acid,2-methyl-, trimethylsilyl ester is an organic compound with the formula C7H16O2Si. The systematic name of this chemical is trimethylsilyl 2-methylpropanoate. With the CAS registry number 16883-61-7, it is also named as Isobutyric acid, trimethylsilyl ester. It is clear colorless liquid which should be stored at the temperature of 0-6 °C. Additionally, people should avoid contact with skin and eyes when using it.
The other characteristics of Propanoic acid,2-methyl-, trimethylsilyl ester can be summarized as: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.78; (6)ACD/BCF (pH 7.4): 23.78; (7)ACD/KOC (pH 5.5): 336.32; (8)ACD/KOC (pH 7.4): 336.32; (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: 1.404; (14)Molar Refractivity: 44.92 cm3; (15)Molar Volume: 183.6 cm3; (16)Polarizability: 17.81×10-24 cm3; (17)Surface Tension: 20.7 dyne/cm; (18)Density: 0.872 g/cm3; (19)Flash Point: 29.2 °C; (20)Enthalpy of Vaporization: 37.17 kJ/mol; (21)Boiling Point: 134.2 °C at 760 mmHg; (22)Vapour Pressure: 8.16 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O[Si](C)(C)C)C(C)C
2. InChI:InChI=1/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3
3. InChIKey:IHTVTNNAFDOJBO-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3
5. Std. InChIKey:IHTVTNNAFDOJBO-UHFFFAOYSA-N