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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
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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