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Ethylene Glycol Diethyl Ether
CAS: 629-14-1 | C6H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
629-14-1
Molecular Formula:
C6H14O2
Molecular Weight:
118.176 g/mol
Names and Synonyms:
Ethylene Glycol Diethyl Ether
Ethane, 1,2-diethoxy-
1,2-Diethoxyethane
Diethyl cellosolve
Ethylene glycol diethyl ether
2-Ethoxyethyl ethyl ether
Glycol diethyl ether
3,6-Dioxaoctane
DEE
Hisolve EME
Ethylene diethyl ether
Identifiers:
SMILES:
CCOCCOCC
InChI:
InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 118.18 g/mol | Legacy Database |
| cas-boiling-point | 119.4 °C None | Legacy Database |
| cas-canonical-smile | O(CC)CCOCC None | Legacy Database |
| cas-density | 1 x 10-6 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LZDKZFUFMNSQCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -74 °C None | Legacy Database |
| cas-name | Ethylene glycol diethyl ether None | Legacy Database |
| LogP | 1.0594000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.176 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 118.099379688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.98599999999998 | RDKit |
