Back to Search
Molecule
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
Identifiers
CAS Registry Number
629-14-1
SMILES
CCOCCOCC
InChI Key
LZDKZFUFMNSQCJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
Names and Synonyms
- Ethylene Glycol Diethyl Ether Synonym
- Ethane, 1,2-diethoxy- Synonym
- 1,2-Diethoxyethane Synonym
- Diethyl cellosolve Synonym
- Ethylene glycol diethyl ether Synonym
- 2-Ethoxyethyl ethyl ether Synonym
- Glycol diethyl ether Synonym
- 3,6-Dioxaoctane Synonym
- DEE Synonym
- Hisolve EME Synonym
- Ethylene diethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.176 g/mol | RDKit | |
| Boiling Point | 119.4 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCOCC | 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 |
| 1.0594 | RDKit | |
| Molar Refractivity | 32.98599999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 118.099379688 g/mol | RDKit |
| Density | 1 x 10-6 g/cm3 @ 20 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 118.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2.
