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| CAS No.: | 78-10-4 |
|---|---|
| Name: | Tetraethyl orthosilicate |
| Article Data: | 188 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H20O4Si |
| Molecular Weight: | 208.33 |
| Synonyms: | Colcoat 6P;Conservare OH;Dynasil A;ES 100;ES 100(silicate);ES 140;ES 28 (ester);Ethyl Silicate 45;Ethyl silicate 28;Ethyl silicate 28P;KIEM-Silex OH;LS 2340;NSC 4790;PETEOS;PG121;Remmers 300;SI 42;SOTEOS;Silicon ethoxide;Silicon tetraethoxide;Silicon tetraethoxide(Si(OC2H5)4);T 0100;T 0100(ester);TEOS;TES 28;TSL 8124;TSLB 124;Tetraethoxysilane;Tetraethoxysilicon(IV);Tetraethyl silicate;Unisilan 74;WD 932;Ethyl silicate; |
| EINECS: | 201-083-8 |
| Density: | 0.939 g/cm3 |
| Melting Point: | -77 °C |
| Boiling Point: | 165.499 °C at 760 mmHg |
| Flash Point: | 46.667 °C |
| Solubility: | Insoluble in water, soluble in ethanol, slightly soluble in benzene |
| Appearance: | clear colorless liquid with a faint odor |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-20-36/37 |
| Safety: | 16-36/37/39 |
| Transport Information: | UN 1292 3/PG 3 |
| PSA: | 36.92000 |
| LogP: | 1.56800 |
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| Conditions | Yield |
|---|---|
| With ethyl silicate 40; silicon at 150 - 180℃; under 760.051 Torr; Concentration; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: ethanol; magnesium With iodine at 20℃; for 3.5h; Inert atmosphere; Reflux; Stage #2: silicon tetrafluoride for 2.5h; Inert atmosphere; Reflux; Stage #3: at 300℃; for 2h; Catalytic behavior; Reagent/catalyst; Temperature; Calcination; | A 98% B 82% |
- 10026-04-7, 53609-55-5
tetrachlorosilane
- 78-10-4
tetraethoxy orthosilicate
| Conditions | Yield |
|---|---|
| With C2H5OH byproducts: HCl; calcd. amts. of SiCl4 and anhyd. C2H5OH; continuous passing of the mixt. through a heated, packed tube-system under addn. of ethanol on passing a inert gas in opposite direction;; | 97.5% |
| With ethanol byproducts: HCl; calcd. amts. of SiCl4 and anhyd. C2H5OH; continuous passing of the mixt. through a heated, packed tube-system under addn. of ethanol on passing a inert gas in opposite direction;; | 97.5% |
| With ethanol; ammonia byproducts: NH4Cl; SiCl4, C2H5OH and dry NH3;; | 92% |
| Conditions | Yield |
|---|---|
| With tetrachlorosilane; trichlorosilane; nickel dichloride at 50 - 60℃; for 3h; Temperature; Reagent/catalyst; Large scale; | 96.9% |
| With tetrachlorosilane; ammonia at 80℃; for 3h; Temperature; | 93.2% |
| With tetrachlorosilane; zinc under 75.0075 - 375.038 Torr; Reflux; | 91% |
| Conditions | Yield |
|---|---|
| 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% |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 10 ppm
ACGIH TLV: TWA 10 ppm
DFG MAK: 10 ppm (86 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
Specification
The Tetraethyl orthosilicate, with the CAS registry number 78-10-4, is also known as Ethyl silicate. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-O Compounds; Tetraalkoxysilanes; Crosslinkers; Crosslinking Agents; Orthosilicate; Organosilicon compounds; CVD and ALD Precursors Packaged for Deposition Systems; Materials Science; Micro &; Micro/NanoElectronics; Nanoelectronics; New Products for Materials Research and Engineering; Vapor Deposition Precursors. Its EINECS number is 201-083-8. This chemical's molecular formula is C8H20O4Si and molecular weight is 208.33. What's more, its systematic name is 1,2-Ethanediylbis[dichloro(methyl)silane]. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, acids, heat and fire. It is mainly used as a crosslinking agent in silicone polymers and as a precursor to silicon dioxide in the semiconductor industry. Other applications include coatings for carpets and other objects. This substance is used in the production of aerogel.
Physical properties of Tetraethyl orthosilicate are: (1)ACD/LogP: 3.811; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 464.12; (6)ACD/BCF (pH 7.4): 464.12; (7)ACD/KOC (pH 5.5): 2820.85; (8)ACD/KOC (pH 7.4): 2820.85; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 54.81 cm3; (15)Molar Volume: 221.776 cm3; (16)Polarizability: 21.728×10-24cm3; (17)Surface Tension: 23.5 dyne/cm; (18)Density: 0.939 g/cm3; (19)Flash Point: 46.667 °C; (20)Enthalpy of Vaporization: 38.547 kJ/mol; (21)Boiling Point: 165.499 °C at 760 mmHg; (22)Vapour Pressure: 2.5 mmHg at 25°C.
Preparation: this chemical can be prepared by allylamine and triethoxysilane. This reaction will need reagents H2PtCl6·6H2O, 7,8-dicarba-nido-undecaborate(1-) with the reaction time of 10 hours. The yield is about 69.9%.
Uses of Tetraethyl orthosilicate: it can be used to produce ethoxy-tributyl-silane at the ambient temperature. It will need solvents diethyl ether, hexane with the reaction time of 1 hour. The yield is about 66%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is harmful by inhalation and is irritating to eyes and respiratory system. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: CCO[Si](OCC)(OCC)OCC
(2)Std. InChI: InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3
(3)Std. InChIKey: BOTDANWDWHJENH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LCLo | inhalation | 700ppm/6H (700ppm) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 288, 1940. |
| mammal (species unspecified) | LCLo | inhalation | 4500mg/m3 (4500mg/m3) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LIVER: FATTY LIVER DEGERATION BLOOD: OTHER CHANGES | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 3, Pg. 81, 1961. |
| mouse | LCLo | inhalation | 1gm/m3/2H (1000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI 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 | LDLo | intraperitoneal | 830mg/kg (830mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BLOOD: CHANGES IN SPLEEN | Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 46, Pg. 231, 1991. |
| rabbit | LD50 | skin | 6300uL/kg (6.3mL/kg) | Union Carbide Data Sheet. Vol. 7/23/1970, | |
| rabbit | LDLo | intravenous | 400mg/kg (400mg/kg) | LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA | Industrial Medicine. Vol. 6, Pg. 660, 1937. |
| rat | LCLo | inhalation | 1000ppm/4H (1000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
| rat | LD50 | oral | 6270mg/kg (6270mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. |