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Diethylene Glycol Diethyl Ether
CAS: 112-36-7 | C8H18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-36-7
Molecular Formula:
C8H18O3
Molecular Mass:
162.23 g/mol
Names and Synonyms:
Diethylene Glycol Diethyl Ether
Diethyl Carbitol
2-(2-Ethoxyethoxy)-1-ethoxyethane
Diethylene glycol diethyl ether
Bis(2-ethoxyethyl) ether
Ethanol, 2,2′-oxybis-, diethyl ether
Ethyldiglyme
2-Ethoxyethyl ether
DEDG
1-Ethoxy-2-(2-ethoxyethoxy)ethane
Hisolve EDE
B 0767
Ethane, 1,1′-oxybis[2-ethoxy-
Ether, bis(2-ethoxyethyl)
1,1′-Oxybis[2-ethoxyethane]
3,6,9-Trioxaundecane
Identifiers:
SMILES:
CCOCCOCCOCC
InChI:
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
Key Properties
Boiling Point
188 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-44 °C
CAS Common Chemistry
Density
0.91 g/cm³
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 | 162.23 g/mol | CAS Common Chemistry |
| 162.22899999999998 g/mol | RDKit | |
| 162.125594436 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.907 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylene_glycol_diethyl_ether | CAS Common Chemistry |
| Boiling Point | 188 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCOCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RRQYJINTUHWNHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44 °C | CAS Common Chemistry |
| Name | Diethylene glycol diethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.076 | RDKit |
| Molar Refractivity | 43.80500000000002 | RDKit |
