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Hexyltrimethoxysilane

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Name

Hexyltrimethoxysilane

EINECS 221-331-9
CAS No. 3069-19-0 Density 0.889 g/cm3
PSA 27.69000 LogP 2.44480
Solubility 284-600000mg/L at 20℃ Melting Point <0 °C
Formula C9H22O3Si Boiling Point 168.4 °C at 760 mmHg
Molecular Weight 206.357 Flash Point 61 °C
Transport Information UN 1993 Appearance Clear to straw liquid with mild odor
Safety 26-36/37/39 Risk Codes 36/38
Molecular Structure Molecular Structure of 3069-19-0 (N-HEXYLTRIMETHOXYSILANE) Hazard Symbols R36/38:Irritating to eyes and skin.;
Synonyms

AY 43-206M;AZ 6177;HTS-M;KBM 3060;LS 3130;TSL8241;XC 98A9426;Z 6582;n-Hexyltrimethoxysilane;Hexyl(trimethoxy)silane;n-Hexyltrimethoxysilane;Silane, hexyltrimethoxy-;

Article Data 11

Hexyltrimethoxysilane Specification

The Silane,hexyltrimethoxy-, with the CAS registry number 3069-19-0 and EINECS registry number 221-331-9, has the systematic name of hexyl(trimethoxy)silane. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Si-O Compounds; Trialkoxysilanes. And the molecular formula of the chemical is C9H22O3Si.

The characteristics of Silane,hexyltrimethoxy- are as followings: (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): 78.12; (6)ACD/BCF (pH 7.4): 78.12; (7)ACD/KOC (pH 5.5): 787.86; (8)ACD/KOC (pH 7.4): 787.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 57.69 cm3; (15)Molar Volume: 231.9 cm3; (16)Polarizability: 22.87×10-24cm3; (17)Surface Tension: 23 dyne/cm; (18)Density: 0.889 g/cm3; (19)Flash Point: 61 °C; (20)Enthalpy of Vaporization: 38.82 kJ/mol; (21)Boiling Point: 168.4 °C at 760 mmHg; (22)Vapour Pressure: 2.14 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(C)[Si](OC)(OC)CCCCCC
(2)InChI: InChI=1/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3
(3)InChIKey: CZWLNMOIEMTDJY-UHFFFAOYAB

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