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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 Mass:
118.18 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
Key Properties
Boiling Point
119.4 °C
CAS Common Chemistry
Melting Point
-74 °C
CAS Common Chemistry
Density
1 x 10-6 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.176 g/mol | RDKit | |
| 118.099379688 g/mol | RDKit | |
| Boiling Point | 119.4 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCOCC | CAS Common Chemistry |
| Density | 1 x 10-6 g/cm3 @ Temp: 20 °C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LZDKZFUFMNSQCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -74 °C | CAS Common Chemistry |
| Name | Ethylene glycol diethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.0594000000000001 | RDKit |
| Molar Refractivity | 32.98599999999998 | RDKit |
