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n-Hexyltriethoxysilane

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Name

n-Hexyltriethoxysilane

EINECS -0
CAS No. 18166-37-5 Density 0.883 g/cm3
PSA 27.69000 LogP 3.61510
Solubility N/A Melting Point < -40 °C
Formula C12H28O3Si Boiling Point 202.663 °C at 760 mmHg
Molecular Weight 248.438 Flash Point 85.937 °C
Transport Information N/A Appearance Clear to straw liquid with mild odor
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 18166-37-5 (N-HEXYLTRIETHOXYSILANE) Hazard Symbols R36/38:Irritating to eyes and skin.;
Synonyms

Triethoxyhexylsilane;AZ 6171;Epokuriito SA;Hexyltriethoxysilane;KBE 3063;KBG 3063;LS 4808;

Article Data 44

n-Hexyltriethoxysilane Specification

The CAS register number of n-Hexyltriethoxysilane is 18166-37-5. It also can be called as Silane, triethoxyhexyl- and the systematic name about this chemical is triethoxy(hexyl)silane. The molecular formula about this chemical is C12H28O3Si and molecular weight is 248.43. It belongs to the following product categories, such as Si (Classes of Silicon Compounds); Si-O Compounds; Trialkoxysilanes and so on.

Physical properties about n-Hexyltriethoxysilane are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4.39; (3)ACD/LogD (pH 7.4): 4.39; (4)ACD/BCF (pH 5.5): 1271.26; (5)ACD/BCF (pH 7.4): 1271.26; (6)ACD/KOC (pH 5.5): 5802.44; (7)ACD/KOC (pH 7.4): 5802.44; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 27.69Å2; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 71.59 cm3; (13)Molar Volume: 281.4 cm3; (14)Polarizability: 28.38x10-24cm3; (15)Surface Tension: 24.7 dyne/cm; (16)Enthalpy of Vaporization: 42.1 kJ/mol; (17)Boiling Point: 202.7 °C at 760 mmHg; (18)Vapour Pressure: 0.411 mmHg at 25°C.

Preparation: this chemical can be prepared by hex-1-ene and triethoxysilane. This reaction will need catalyst Rh(I)-catalyst and solvent tetrahydrofuran. The reaction time is 1 hour(s) with ambient temperature. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)[Si](OCC)(OCC)CCCCCC
(2)InChI: InChI=1/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
(3)InChIKey: WUMSTCDLAYQDNO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
(5)Std. InChIKey: WUMSTCDLAYQDNO-UHFFFAOYSA-N

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