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TETRAISOPROPYL ORTHOSILICATE

CAS：1992-48-9
MW:264.43382
MF：C12H28O4Si

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: TETRAISOPROPYL ORTHOSILICATE

1.2 Synonyms: Isopropyl orthosilicate; Isopropyl silicate ((C3H7O)4Si); NSC 252164; Silicic acid (H4SiO4), tetraisopropyl ester; Silicic acid (H4SiO4), tetrakis(1-methylethyl) ester; Silicon isopropoxide; SILICON TETRA-I-PROPOXIDE; Silicon tetraisopropoxide; TETRAISOPROPOXYSILANE; TETRAISOPROPYL ORTHOSILICATE; Tetraisopropyl silicate; Tetraisopropylorthosilate; TETRAISOPROPYLSILANE; Tetraisopropylsilane(Tetraisopropyl orthosilicate); Tetrakis(1-methylethoxy)silane; tetrakis(1-methylethyl) orthosilicate; TETRAKIS(ISOPROPOXY)SILANE; Tetrakis(isopropyloxy)silane; TK 217;

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1.3 CAS No.: 1992-48-9

1.4 CID: 74813

1.5 EINECS: 217-875-1

1.6 Molecular Formula: C12H28O4Si

1.7 Inchi: InChI=1S/C12H28O4Si/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3

1.8 InChkey: ZUEKXCXHTXJYAR-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C

1.10 Isomers Smiles: CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C

2. Properties

2.1 Appearance: Colorless transparent liquid

2.2 Chemical Properties: Colorless transparent liquid TETRAISOPROPYL ORTHOSILICATESupplier

3. Use and Manufacturing

3.1 Description: Colorless transparent liquid

4. Safety and Handling

4.1 Specification

The Isopropyl silicate with the CAS number 1992-48-9 is also called Silicic acid (H4SiO4),tetrakis(1-methylethyl) ester. The IUPAC name is tetrapropan-2-yl silicate. Its EINECS registry number is 217-875-1. The molecular formula is C₁₂H₂₈O₄Si. This chemical belongs to the following product categories: (1)Si (Classes of Silicon Compounds); (2)Si-O Compounds; (3)Tetraalkoxysilanes; (4)Crosslinkers; (5)Crosslinking Agents; (6)Orthosilicate.

The properties of the chemical are: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.49; (4)ACD/LogD (pH 7.4): 6.49; (5)ACD/BCF (pH 5.5): 50318.52; (6)ACD/BCF (pH 7.4): 50318.52; (7)ACD/KOC (pH 5.5): 80738.14; (8)ACD/KOC (pH 7.4): 80738.14; (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: 1.419; (14)Molar Refractivity: 73.17 cm³; (15)Molar Volume: 289.3 cm³; (16)Polarizability: 29×10^-24cm³; (17)Surface Tension: 23.4 dyne/cm; (18)Enthalpy of Vaporization: 44.57 kJ/mol; (19)Vapour Pressure: 0.113 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation. And it is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C(C)C)[Si](OC(C)C)(OC(C)C)OC(C)C
(2)InChI: InChI=1/C12H28O4Si/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3
(3)InChIKey: ZUEKXCXHTXJYAR-UHFFFAOYAL

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H318 Causes serious eye damage
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : liquid film

Mass

7. Synthesis Route

1992-48-9Total: 8 Synthesis Route

67-63-0 129 Suppliers

1992-48-9 20 Suppliers

541-42-4 25 Suppliers

1992-48-9 20 Suppliers

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8. Precursor and Product

precursor:

919-36-8

541-42-4

67-63-0

18145-76-1

681-84-5

10026-04-7

product:

638-11-9

9. Computed Properties

Molecular Weight：264.43382g/mol
Molecular Formula：C₁₂H₂₈O₄Si
Compound Is Canonicalized：True
XLogP3-AA：264.17568590
Monoisotopic Mass：264.17568590
Complexity：159
Rotatable Bond Count：8
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：36.9
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwOAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAEAACBSggAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Applications

Tetraisopropoxysilane, the iso-propyl ester of orthosilicic acid, is a colorless clear liquid. It has the following application:

As an inorganic binder for refactory fillers and pigments, like precision investment castings.
As a second backup casting coating. It cures faster than silica system.
May be hydrolyzed to form silicon dioxide (silica).
As a binder in zinc-rich (corrosion resistant) coating.
As a starting material for sol-gel process.
As a crosslinking agent for silicone sealant.
As a drying agent in sealing compositions.
As a chemical intermediate.

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