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Triethoxysilane

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Name

Triethoxysilane

EINECS 213-650-7
CAS No. 998-30-1 Density 0.89 g/cm3
PSA 27.69000 LogP 0.81310
Solubility Insoluble in water. Soluble in organic solvents. Melting Point -170 °C
Formula C6H16O3Si Boiling Point 133.5 °C at 760 mmHg
Molecular Weight 164.277 Flash Point 29.2 °C
Transport Information UN 3384 6.1/PG 1 Appearance colourless liquid
Safety 26-28-36/37/39-45 Risk Codes 10-26-34-23/24/25
Molecular Structure Molecular Structure of 998-30-1 (Triethoxysilane) Hazard Symbols VeryT+,CorrosiveC,ToxicT
Synonyms

4-01-00-01359 (Beilstein Handbook Reference);Triethoxysilicon;

Article Data 61

Triethoxysilane Synthetic route

64-17-5

ethanol

7440-21-3

silicon

A

78-10-4

tetraethoxy orthosilicate

B

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With sebaconitrile; copper(I) oxide In NALKYLENE 500 at 200℃; for 14h; Product distribution / selectivity;A 3.32%
B 95.7%
With octanedinitrile; copper(I) oxide In NALKYLENE 500 at 200℃; for 14 - 21h; Product distribution / selectivity;A 3.45%
B 94.18%
With hexanedinitrile; copper(I) oxide In NALKYLENE 500 at 200℃; for 14h; Product distribution / selectivity;A 5.26%
B 93.38%
64-17-5

ethanol

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With trichlorosilane at 80℃; for 6h; Temperature;86%
With trichlorosilane; N,N-dimethyl-aniline; benzene
With trichlorosilane
With trichlorosilane; N,N-diethylaniline
1825-62-3

ethyl trimethylsilyl ether

10025-78-2

trichlorosilane

998-30-1

Triethoxysilane

Conditions
ConditionsYield
84%
84%
67-56-1

methanol

C21H29NO3S

513-31-5

2-bromoallyl bromide

A

998-30-1

Triethoxysilane

B

C20H24BrNO2

Conditions
ConditionsYield
Stage #1: methanol; C21H29NO3S With hydrogenchloride In 1,4-dioxane at 0 - 23℃; for 1h; Inert atmosphere; Schlenk technique;
Stage #2: 2-bromoallyl bromide With N-ethyl-N,N-diisopropylamine In acetonitrile at 23 - 80℃; for 12h; Inert atmosphere; Schlenk technique;
A 26%
B 54%
10025-78-2

trichlorosilane

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With C2H5OH In benzene byproducts: HCl;45%
With ethanol byproducts: HCl;
With C2H5OH byproducts: HCl;
64-17-5

ethanol

74-85-1

ethene

A

78-07-9

ethyltriethoxy silane

B

13175-88-7

ethyldiethoxysilane

C

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With silicon at 240℃;A n/a
B 13%
C n/a
78-10-4

tetraethoxy orthosilicate

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With Y(3+)*2C12H21Si(1-)*H(1-)*C4H8O; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 80℃; for 20h;12%
With hydrogen under 110 Torr; for 5h;
64-17-5

ethanol

A

78-10-4

tetraethoxy orthosilicate

B

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With trichlorosilane; benzene at 0℃;
With copper(l) chloride; silicon at 242℃;A 105 g
B 1635 g
With copper(l) chloride; silicon at 242℃; Concentration; Time; Large scale;A 141 g
B 3380 g
1825-62-3

ethyl trimethylsilyl ether

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With trichlorosilane
122-51-0

orthoformic acid triethyl ester

998-30-1

Triethoxysilane

Conditions
ConditionsYield
With trichlorosilane

Triethoxysilane Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

Triethoxysilane Specification

The Triethoxysilane, with the CAS registry number 998-30-1, is also known as Silane, triethoxy-. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-H Compounds; Si-O Compounds; Trialkoxysilanes; Alkoxy Silanes; Hydrogensilanes Hydrogensiloxanes; Reducing Agents; Organometallic Reagents; Organosilicon; Poss Precursors and Intermediates. Its EINECS number is 213-650-7. This chemical's molecular formula is C6H16O3Si and molecular weight is 164.28. What's more, its systematic name is Triethoxysilane. Its Superlist Classification Code is Threshold Planning Quantity (TPQ) = 500 lb. The product is stable at room temperature and pressure, and it should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from water and strong oxidizers. This chemical is a toxic chemical compound. It is an important raw material for producing silane coupling agent.

Physical properties of Triethoxysilane: (1)ACD/LogP: 4.222; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 952.00; (6)ACD/BCF (pH 7.4): 952.00; (7)ACD/KOC (pH 5.5): 4717.46; (8)ACD/KOC (pH 7.4): 4717.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Flash Point: 29.233 °C; (14)Enthalpy of Vaporization: 35.568 kJ/mol; (15)Boiling Point: 133.499 °C at 760 mmHg; (16)Vapour Pressure: 10.4 mmHg at 25°C.

Preparation: this chemical can be produced by trichlorosilane and anhydrous ethanol. Besides, it also can be produced by silica fume and ethanol which need the catalyst copper.

Uses of Triethoxysilane: it can be used to produce triethoxy-hexyl-silane at ambient temperature. This reaction will need catalyst Rh(I)-catalyst and solvent tetrahydrofuran with reaction time of 1 hours. The yield is about 97%.

Triethoxysilane can be used to produce triethoxy-hexyl-silane at ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. It is flammable and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)[SiH](OCC)OCC
(2)Std. InChI: InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3
(3)Std. InChIKey: QQQSFSZALRVCSZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 500mg/m3/2H (500mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 5, Pg. 192, 1963.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00018,
rat LC50 inhalation 500mg/m3/2H (500mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 5, Pg. 192, 1963.

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