2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane

Details:

1. Introduction of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane is also named as ((Epoxycyclohexyl)ethyl)trimethoxy silane; (2-(3,4-Epoxycyclohexyl)ethyl)trimethoxysilane; 3,4-Epoxycyclohexylethyltrimethoxysilane; 3-(2-(Trimethoxysilyl)ethyl)-7-oxabicyclo(4.1.0)heptane; 4-(2-(Trimethoxysilyl)ethyl)-7-oxabicyclo(4.1.0)heptane and so on. The IUPAC Name is Trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

2. Properties of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Density: 1.034 g/cm³
Melting Point: <0 °C
Boiling Point: 263.5 °C at 760 mmHg
Flash Point: 89.7 °C
Index of Refraction: 1.454
Molar Refractivity: 64.5 cm³
Molar Volume: 238.1 cm³
Surface Tension: 29.5 dyne/cm
Enthalpy of Vaporization: 48.12 kJ/mol
Vapour Pressure: 0.0167 mmHg at 25 °C
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 246.128736
MonoIsotopic Mass: 246.128736
Topological Polar Surface Area: 40.2
Heavy Atom Count: 16
Product Categories of (3,4-Epoxycyclohexyl)ethyltrimethoxysilane (CAS NO.3388-04-3): Industrial/Fine Chemicals; Epoxy Silanes (Silane Coupling Agents); Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Si-O Compounds; Trialkoxysilanes

3. Structure Descriptors of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Canonical SMILES: CO[Si](CCC1CCC2C(C1)O2)(OC)OC
InChI: InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
InChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-N

4. Toxicity of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane

1.		skn-rbt 500 mg open MLD		UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 1/17 ,1972.
2.		orl-rat LD50:12,300 mg/kg		AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
3.		skn-rbt LD50:6300 mg/kg		UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 2/11 ,1964.

5. Safety Information of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Hazard Codes: 
Risk Statements: 45-46
R45:May cause cancer.
R46:May cause heritable genetic damage.
Safety Statements: 53-23-36/37/39-45
S53:Avoid exposure - obtain special instructions before use.
S23:Do not breathe vapour.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: VV4000000
F: 3-10
TSCA: Yes
Mildly toxic by ingestion and skin contact. A skin irritant. Questionable carcinogen. When heated to decomposition it emits acrid smoke and fumes.

6. Use of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
1) 2-(3, 4-Epoxycyclohexyl)ethyl]trimethoxysilane (CAS No. 3388-04-3), silane coupling agent NQ-561/KH-566, is an essential ingredient in the products of many industries. Examples are:
Foundry resins: As an additive to polyurethane resins
Sealants and adhesives: As a primer or additive
Mineral filled composites: For pretreatment of fillers and pigments or as an additive to the polymer
Paints and coatings: As an additive and as a primer for improving adhesion to the substrate, especially glass and metal
2) Improved shelf life over aminosilanes in polyurethanes
3) Improved mechanical properties, such as flexural strength, tensile strength, impact strength and modulus of elasticity
4) Improved moisture and corrosion resistance
5) Improved electrical properties, for example dielectric constant, volume resistivity.