Basic information
- Name:
Ethane,1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-
- Superlist Name:
- Tetraethyl orthocarbonate
- CAS No.:
78-09-1
- Molecular Structure:
![Molecular Structure of 78-09-1 (Ethane,1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-)](http://www.lookchem.com/300w/2010/0712/78-09-1.jpg)
- Formula:
- C9H20O4
- Molecular Weight:
- 192.25
- Synonyms:
- Tetraethylorthocarbonate;Orthocarbonicacid, tetraethyl ester (6CI,7CI,8CI);NSC 28574;Tetraethoxymethane;(triethoxymethoxy)ethane;Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-;
- EINECS:
- 201-082-2
- Density:
- 0.948 g/cm3
- Boiling Point:
- 159.5 °C at 760 mmHg
- Flash Point:
- 52.8 °C
- Solubility:
- insoluble in water
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xi,
F- Risk Codes:
- 10-36/37/38
- Safety Description:
- 37/39-26-16-36 Details
- Transport Information:
- UN 3272 3/PG 3
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Specification
The Tetraethyl orthocarbonate, with the CAS registry number 78-09-1 and EINECS registry number 201-082-2, has the systematic name of (triethoxymethoxy)ethane. And the molecular formula of this chemical is C9H20O4. It is a kind of clear colorless liquid, and belongs to the following product categories: Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. What's more, it should be stored in the refrigerator. In addition, it is used in the synthesis of medicine intermediate and cementing compound.
The physical properties of Tetraethyl orthocarbonate are as following: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2122.6; (6)ACD/BCF (pH 7.4): 2122.6; (7)ACD/KOC (pH 5.5): 8374.69; (8)ACD/KOC (pH 7.4): 8374.69; (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: 1.414; (14)Molar Refractivity: 50.69 cm3; (15)Molar Volume: 202.5 cm3; (16)Polarizability: 20.09×10-24cm3; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 52.8 °C; (20)Enthalpy of Vaporization: 37.98 kJ/mol; (21)Boiling Point: 159.5 °C at 760 mmHg; (22)Vapour Pressure: 3.24 mmHg at 25°C.
Uses of Tetraethyl orthocarbonate: It can react with pyrrolidine to produce 1,1'-carbonyl-bis-pyrrolidine. The reaction time is 5 days with heating, and the yield is about 39%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)(OCC)OCC
(2)InChI: InChI=1/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
(3)InChIKey: CWLNAJYDRSIKJS-UHFFFAOYAN