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Diethyl carbonate

Catalog Number
ACM105588
CAS Number
105-58-8
Product Name
Diethyl carbonate
Structure
Category
Electrolytes; Lithium-Ion Batteries; Battery Materials
Description
Diethyl carbonate appears as a colorless liquid with a mild pleasant odor. It is slightly less dense than water and insoluble in water. Hence floats on water. Flash point 77°F. Vapors are heavier than air. When heated to high temperatures it may emit acrid smoke. Used as a solvent.;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
IUPAC Name
diethyl carbonate
Molecular Weight
118.13g/mol
Molecular Formula
C5H10O3;(C2H5O)2CO;C5H10O3
Canonical SMILES
CCOC(=O)OCC
InChI
InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChI Key
OIFBSDVPJOWBCH-UHFFFAOYSA-N
Boiling Point
259 °F at 760 mm Hg (NTP, 1992);126.0 °C;126 °C;126 °C
Melting Point
-45 °F (NTP, 1992);-43.0 °C;-43 °C;-43 °C
Flash Point
77 °F (NTP, 1992);25 °C (CLOSED CUP);25 °C c.c.
Density
0.975 at 68 °F (USCG, 1999);0.9752 @ 20 °C/4 °C;Relative density (water = 1): 0.98
Solubility
Insoluble (NTP, 1992);0.16 M;Soluble in ehtyl ether, ethanol, and chloroform;Miscible with ketones, esters, aromatic hydrocarbons, some aliphatic solvents;In water, 1.88X10+4 mg/l @ 20 °C;Solubility in water: none
Application
Diethyl carbonate is a versatile organic compound primarily used for C-alkoxycarbonylation of enolate anions, and aryl and alkyl cyanides. Its unique properties allow it to react with 1,2-amino alcohols to form 2-oxazolidinones. Besides its application in synthetic chemistry, it serves as a crucial component in the electrolyte solutions for lithium-ion batteries, enhancing their performance. Furthermore, diethyl carbonate acts as a solvent for various cellulose ethers and nitrocellulose, and it plays a vital role in the manufacturing process of radio tubes, fixing rare earths to cathode elements, and the production of natural and synthetic resins. It is also employed in pharmaceuticals, including erythromycin intramuscular injections, and in the synthesis of compounds such as 3-ethyl-4-methyl-5-phenyl-3H-oxazol-2-one and phenobarbital.
Color/Form
Colorless liquid
Complexity
62.1
Covalently-Bonded Unit Count
1
EC Number
203-311-1
Exact Mass
118.062994g/mol
Formal Charge
0
Heavy Atom Count
8
ICSC Number
1022
Log P
1.21 (LogP);log Kow= 1.21
MeSH Entry Terms
diethyl carbonate;ethyl carbonate
Monoisotopic Mass
118.062994g/mol
NSC Number
8849
Odor
Pleasant ethereal odor;Mild odor
Other Experimental
CAN REACT WITH OXIDIZING MATERIALS
Refractive Index
Index of refraction: 1.3845 @ 20 °C/D; Sadtler ref number: 8024 (IR, prism); 290 (NMR)
Rotatable Bond Count
4
RTECS Number
FF9800000
Stability
STABLE
UNII
3UA92692HG
UN Number
2366;2366;2366;2366
Vapor Density
4.07 (NTP, 1992) (Relative to Air);4.07 (Air= 1);Relative vapor density (air = 1): 4.07
Vapor Pressure
10 mm Hg at 74.8 °F (NTP, 1992);10.80 mmHg;10.8 mm Hg @ 25 °C;Vapor pressure, kPa at 20 °C: 1.1
XLogP3
1.2
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