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CAS No.: | 77756-79-7 |
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Name: | [2-(3-Cyclohexenyl)ethyl]triethoxysilane |
Molecular Structure: | |
Formula: | C14H28O3Si |
Molecular Weight: | 272.46 |
Synonyms: | Silane,[2-(cyclohexenyl)ethyl]triethoxy- (9CI);(2-Cyclohexenylethyl)triethoxysilane; |
Density: | 0.935 g/cm3 |
Melting Point: | <0 °C |
Boiling Point: | 295 °C at 760 mmHg |
Flash Point: | 133 °C |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25 |
PSA: | 27.69000 |
LogP: | 4.17130 |
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The [2-(3-Cyclohexenyl)ethyl]triethoxysilane, with the CAS registry number 77756-79-7, is also known as Cyclohexene, 4-[2-(triethoxysilyl)ethyl]-. This chemical's molecular formula is C14H28O3Si and molecular weight is 272.46. Its systematic name is called [2-(cyclohex-3-en-1-yl)ethyl](triethoxy)silane.
Physical properties of [2-(3-Cyclohexenyl)ethyl]triethoxysilane: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1300.97; (6)ACD/BCF (pH 7.4): 1300.97; (7)ACD/KOC (pH 5.5): 5899.16; (8)ACD/KOC (pH 7.4): 5899.16; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 78.35 cm3; (14)Molar Volume: 291.1 cm3; (15)Surface Tension: 28.4 dyne/cm; (16)Density: 0.935 g/cm3; (17)Flash Point: 133 °C; (18)Enthalpy of Vaporization: 51.33 kJ/mol; (19)Boiling Point: 295 °C at 760 mmHg; (20)Vapour Pressure: 0.00275 mmHg at 25°C.
Preparation: this chemical can be prepared by triethoxysilane and 4-vinyl-cyclohexene. This reaction is a kind of Rh(I)-catalyst. It will need solvent tetrahydrofuran. The reaction time is 1 hour with ambient temperature. The yield is about 35%.
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 not breathe ita gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You should avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O([Si](OCC)(OCC)CCC1C/C=C\CC1)CC
(2)InChI: InChI=1/C14H28O3Si/c1-4-15-18(16-5-2,17-6-3)13-12-14-10-8-7-9-11-14/h7-8,14H,4-6,9-13H2,1-3H3
(3)InChIKey: AOFBJTGHSYNINY-UHFFFAOYAQ