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

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Name

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

EINECS 222-217-1
CAS No. 3388-04-3 Density 1.034 g/cm3
PSA 40.22000 LogP 1.82210
Solubility 1.4g/L at 20℃ Melting Point <0 °C
Formula C11H22O4Si Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 246.379 Flash Point 89.7 °C
Transport Information N/A Appearance N/A
Safety 53-23-36/37/39-45 Risk Codes 45-46
Molecular Structure Molecular Structure of 3388-04-3 (Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane) Hazard Symbols ToxicT
Synonyms

(3,4-Epoxycyclohexyl)ethyltrimethoxysilane;Silane,trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]- (7CI,8CI,9CI);7-Oxabicyclo[4.1.0]heptane,3-[2-(trimethoxysilyl)ethyl]-;3-[2-(Trimethoxysilyl)ethyl]-7-oxabicyclo[4.1.0]heptane;4-[2-(Trimethoxysilyl)ethyl]-7-oxabicyclo[4.1.0]heptane;Epoxycyclohexylethyltrimethoxysilane;NUC Silicone A 186;[b-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane;

Article Data 5

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

106-86-5

1,2-Epoxy-4-vinylcyclohexane

γ-methacryloxypropyltrichlorosilane

2487-90-3

trimethoxysilane

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

Conditions
ConditionsYield
chloroplatinic acid90%
106-86-5

1,2-Epoxy-4-vinylcyclohexane

2487-90-3

trimethoxysilane

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

Conditions
ConditionsYield
With 2C4H9O(1-)*Ni(2+)*(x)KCl In tetrahydrofuran at 20℃; for 12h; Glovebox; Inert atmosphere;74%
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex In toluene for 1.66667h; Sealed tube; Heating;
With Pt catalyst In toluene at 80℃; for 1.66667h;
17832-28-9

4-(vinyloxy)butan-1-ol

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

C26H46O7Si

Conditions
ConditionsYield
at 110 - 125℃; under 200 Torr; for 5.5h;93.9%
102-71-6

triethanolamine

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

2-[(3,4-epoxycyclohexyl)ethyl]silatrane

Conditions
ConditionsYield
With potassium hydroxide In benzene for 2h; Heating;90%
4435-57-8

bis(2-hydroxyethyl)(2-hydroxybutyl)amine

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

2-[(3,4-epoxycyclohexyl)ethyl]-3-ethylsilatrane

Conditions
ConditionsYield
With potassium hydroxide In toluene for 2h; Heating;88.7%
122-20-3

triisopropanolamine

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

2-[(3,4-epoxycyclohexyl)ethyl]-3,7,10-trimethylsilatrane

Conditions
ConditionsYield
With potassium hydroxide In toluene for 3h; Heating;88%
17455-13-9

18-crown-6 ether

120-80-9

benzene-1,2-diol

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

potassium [18-crown-6] bis(catecholato)(2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl)silicate

Conditions
ConditionsYield
With potassium methanolate In methanol at 20℃; for 3h; Inert atmosphere;85%
124-38-9

carbon dioxide

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

C12H22O6Si

Conditions
ConditionsYield
With C21H12Cl6NO4V; tetrabutylammomium bromide In neat (no solvent) at 85℃; under 7500.75 Torr; for 18h;85%
124-38-9

carbon dioxide

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

C12H22O6Si

Conditions
ConditionsYield
With tetrabutylammomium bromide In neat (no solvent) at 100℃; for 18h; chemoselective reaction;77%

3-[N-(3-methoxypropyl)amino]propyltrimethoxysilane

3388-04-3

trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

3,3-dimethoxy-7-(3-methoxypropyl)-10-(2-trimethoxysilylethyl)-2-oxa-7-aza-3-sila-bicyclo[6,4,0]dodecane

Conditions
ConditionsYield
With zinc(II) chloride In acetonitrile at 80℃; for 3h; Inert atmosphere; High pressure; Autoclave;70.4%

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

Reported in EPA TSCA Inventory.

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

The 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane, with the CAS registry number 3388-04-3,is also known as Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane. It belongs to the product categories of Silane Coupling Agents;Si-O Compounds;Trialkoxysilanes.Its EINECS number is 222-217-1. This chemical's molecular formula is C11H22O4Si and molecular weight is 246.38. What's more,Its systematic name is 2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane.The 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane may cause cancer and may cause heritable genetic damage. Avoid exposure - obtain special instructions before use. When you use it wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .

Physical properties about 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane are:
(1)ACD/LogP:  2.903; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.90; (4)ACD/LogD (pH 7.4):  2.90; (5)ACD/BCF (pH 5.5):  94.67; (6)ACD/BCF (pH 7.4):  94.67; (7)ACD/KOC (pH 5.5):  904.05; (8)ACD/KOC (pH 7.4):  904.05; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  6; (12)Index of Refraction:  1.454; (13)Molar Refractivity:  64.506 cm3; (14)Molar Volume:  238.172 cm3; (15)Surface Tension:  29.5310001373291 dyne/cm; (16)Density:  1.034 g/cm3; (17)Flash Point:  89.651 °C; (18)Enthalpy of Vaporization:  48.115 kJ/mol; (19)Boiling Point:  263.538 °C at 760 mmHg; (20)Vapour Pressure:  0.017000000923872 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O(C)[Si](OC)(OC)CCC1CC2OC2CC1;
(2)Std. 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;
(3)Std. InChIKey:DQZNLOXENNXVAD-UHFFFAOYSA-N.

The toxicity data of 2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 290mg/m3/4H (290mg/m3)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.
rabbit LD50 skin 6300uL/kg (6.3mL/kg)   Union Carbide Data Sheet. Vol. 2/11/1964,
rat LD50 intraperitoneal 1mL/kg (1mL/kg)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.
rat LD50 oral 8mL/kg (8mL/kg)   Journal of Biomedical Materials Research. Vol. 8, Pg. 11, 1974.

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