CAS No.3388-04-3,Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3388-04-3
Name:	Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane
Article Data:	5

Formula:	C₁₁H₂₂O₄Si
Molecular Weight:	246.379
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;
EINECS:	222-217-1
Density:	1.034 g/cm³
Melting Point:	<0 °C
Boiling Point:	263.5 °C at 760 mmHg
Flash Point:	89.7 °C
Solubility:	1.4g/L at 20℃
Hazard Symbols:	T
Risk Codes:	45-46
Safety:	53-23-36/37/39-45
PSA:	40.22000
LogP:	1.82210

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

Conditions	Yield
chloroplatinic acid	90%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With potassium methanolate In methanol at 20℃; for 3h; Inert atmosphere;	85%

...Expand

: 124-38-9
carbon dioxide

: 3388-04-3
trimethoxy[2-(7-oxabicyclo[4.1.0]-hept-3-yl)ethyl]silane

: C12H22O6Si

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

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Consensus Reports

Reported in EPA TSCA Inventory.

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)	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.