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CAS No.: | 1109-96-2 |
---|---|
Name: | Silicic acid, ethyl ester |
Molecular Structure: | |
Formula: | C19H22N2O.C15H14O2 |
Molecular Weight: | 520.66100 |
Synonyms: | 3-Acenaphthyleneacetic acid, 1,2-dihydro-α-methyl-, compd. with (8α,9R)-cinchonan-9-ol (1:1) (9CI); |
EINECS: | 201-083-8 |
Melting Point: | -77℃ |
Solubility: | Hydrolysis |
Hazard Symbols: | R10:; R20:; R36/37:; |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 73.66000 |
LogP: | 6.22900 |
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The Cinchonan-9-ol, (8α,9R)-, mono(1,2-dihydro-α-methyl-3-acenaphthyleneacetate) (salt) (9CI), with the CAS registry number 1109-96-2, is also known as Silicic acid, ethyl ester. This chemical's molecular formula is C8H20O4Si and molecular weight is 208.11. What's more, its systematic name is called Tetraethyl orthosilicate. It should be stored in a cool, dry and well-ventilated place.
Physical properties about Cinchonan-9-ol, (8α,9R)-, mono(1,2-dihydro-α-methyl-3-acenaphthyleneacetate) (salt) (9CI) are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.811; (4)ACD/LogD (pH 7.4): 3.811; (5)ACD/BCF (pH 5.5): 464.124; (6)ACD/BCF (pH 7.4): 464.124; (7)ACD/KOC (pH 5.5): 2820.851; (8)ACD/KOC (pH 7.4): 2820.851; (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)Surface Tension: 23.493 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 46.667 °C; (19)Enthalpy of Vaporization: 38.547 kJ/mol; (20)Boiling Point: 165.499 °C at 760 mmHg; (21)Vapour Pressure: 2.456 mmHg at 25 °C.
Preparation of Cinchonan-9-ol, (8α,9R)-, mono(1,2-dihydro-α-methyl-3-acenaphthyleneacetate) (salt) (9CI): this chemical can be prepared by alcoholysis with silicon tetrachloride.
SiCl4 + 4 CH3CH2OH → Si(OCH3CH2)4 + 4 HCl
Uses of Cinchonan-9-ol, (8α,9R)-, mono(1,2-dihydro-α-methyl-3-acenaphthyleneacetate) (salt) (9CI): (1) it is used for optical glass, paint, adhesive; (2) it is used to produce other chemicals. For example, it can react with H2O to get silicon dioxide.
Si(OC2H5)4 + 2 H2O → SiO2 + 4 C2H5OH
You can still convert the following datas into molecular structure:
(1) SMILES: CCO[Si](OCC)(OCC)OCC
(2) InChI: InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3
(3) InChIKey: BOTDANWDWHJENH-UHFFFAOYSA-N