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Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-

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Name

Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-

EINECS N/A
CAS No. 18173-64-3 Density 0.822 g/cm3
PSA 20.23000 LogP 1.98390
Solubility N/A Melting Point 18 °C
Formula C6H16OSi Boiling Point 142.3 °C at 760 mmHg
Molecular Weight 132.278 Flash Point 45 °C
Transport Information UN 1987 Appearance colorless transparent liquid
Safety 26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 18173-64-3 (TERT-BUTYLDIMETHYLSILANOL) Hazard Symbols IrritantXi
Synonyms

Silanol,(1,1-dimethylethyl)dimethyl- (9CI);Silanol, tert-butyldimethyl- (8CI);Dimethyl-tert-butylsilanol;tert-Butyl(hydroxy)dimethylsilane;tert-Butyldimethylsilanol;tert-Butyldimethylsilyl hydroxide;

Article Data 9

Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl- Specification

This chemical is called Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-, and its systematic name is tert-butyl(dimethyl)silanol. With the molecular formula of C6H16OSi, its product categories are Organometallic Reagents; Organosilicon; Silanols. The CAS registry number of this chemical is 18173-64-3. In addition, this chemical should be sealed in the cool and dry place, away from oxidants, fire and water. Keep it with intert gas. 

Other characteristics of the Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.08; (6)ACD/BCF (pH 7.4): 31.08; (7)ACD/KOC (pH 5.5): 407.28; (8)ACD/KOC (pH 7.4): 407.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 40.06 cm3; (15)Molar Volume: 160.8 cm3; (16)Polarizability: 15.88×10-24cm3; (17)Surface Tension: 20.3 dyne/cm; (18)Density: 0.822 g/cm3; (19)Flash Point: 45 °C; (20)Enthalpy of Vaporization: 44.21 kJ/mol; (21)Boiling Point: 142.3 °C at 760 mmHg; (22)Vapour Pressure: 2.28 mmHg at 25°C.

Uses of this chemical: The Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl- could react with phosphoric acid monoethyl ester, and obtain the bis(tert-butyldimethylsilyl) ethyl phosphate. This reaction needs the reagent of anh. sodium sulfate, and the solvent of hexane. The yield is 90 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

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[Si](C(C)(C)C)(C)C
2.InChI: InChI=1/C6H16OSi/c1-6(2,3)8(4,5)7/h7H,1-5H3
3.InChIKey: FGWRMMTYIZKYMA-UHFFFAOYAP

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