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2-(Trimethylsiloxy)-1,3-butadiene

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Name

2-(Trimethylsiloxy)-1,3-butadiene

EINECS N/A
CAS No. 38053-91-7 Density 0.808 g/cm3
PSA 9.23000 LogP 2.53760
Solubility N/A Melting Point <0°C
Formula C7H14OSi Boiling Point 125.1 °C at 760 mmHg
Molecular Weight 142.273 Flash Point 19.1 °C
Transport Information N/A Appearance N/A
Safety 16-23-36/37/39-45 Risk Codes 11-23/24/25
Molecular Structure Molecular Structure of 38053-91-7 (2-(Trimethylsiloxy)-1,3-butadiene) Hazard Symbols N/A
Synonyms

Silane,trimethyl[(1-methylene-2-propenyl)oxy]- (9CI);2-Trimethylsilyloxybutadiene;Trimethyl[(1-methyleneprop-2-en-1-yl)oxy]silane;

Article Data 1

2-(Trimethylsiloxy)-1,3-butadiene Specification

The 2-(Trimethylsiloxy)-1,3-butadiene with the cas number 38053-91-7, is also called Silane, trimethyl[(1-methylene-2-propen-1-yl)oxy]-. The systematic name is (buta-1,3-dien-2-yloxy)(trimethyl)silane.Its molecular formula C7H14OSi. This chemical belongs to the following product categories: (1)Monoalkoxysilanes; (2)Si (Classes of Silicon Compounds); (3)Silicon Compounds (for Synthesis); (4)Si-O Compounds; (5)Synthetic Organic Chemistry; (6)Vinylsilanes, Allylsilanes.

The properties of the chemical are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.91; (6)ACD/BCF (pH 7.4): 77.91; (7)ACD/KOC (pH 5.5): 786.35; (8)ACD/KOC (pH 7.4): 786.35; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 44.23 cm3; (15)Molar Volume: 176.1 cm3; (16)Polarizability: 17.53×10-24cm3; (17)Surface Tension: 18.1 dyne/cm; (18)Enthalpy of Vaporization: 34.8 kJ/mol; (19)Vapour Pressure: 14.9 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of but-3-en-2-one and chloro-trimethyl-silane.
This reaction needs reagent triethylamine and solvent tetrahydrofuran at heating condition. The reaction time is 3.0 hours. The yield is 83 %.

Uses: This chemical can react with but-3-en-2-one, to product 1-[(Trimethylsilyl)oxy]-4-acetyl-1-cyclohexene.

This reaction needs solvent toluene.

When you are using this chemical, please be cautious about it as the following: (1)Highly flammable; (2)Toxic by inhalation, in contact with skin and if swallowed; (3)Keep away from sources of ignition; (4)Do not breathe vapour; (5)Wear suitable protective clothing, gloves and eye/face protection; (6)In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O(/C(=C)/C=C)[Si](C)(C)C
(2)InChI: InChI=1/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3

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