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Molecule
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
Identifiers
CAS Registry Number
112-36-7
SMILES
CCOCCOCCOCC
InChI Key
RRQYJINTUHWNHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
Names and Synonyms
- Diethylene Glycol Diethyl Ether Common Name
- Diethyl Carbitol Synonym
- 2-(2-Ethoxyethoxy)-1-ethoxyethane Synonym
- Diethylene glycol diethyl ether Synonym
- Bis(2-ethoxyethyl) ether Synonym
- Ethanol, 2,2′-oxybis-, diethyl ether Synonym
- Ethyldiglyme Synonym
- 2-Ethoxyethyl ether Synonym
- DEDG Synonym
- 1-Ethoxy-2-(2-ethoxyethoxy)ethane Synonym
- Hisolve EDE Synonym
- B 0767 Synonym
- Ethane, 1,1′-oxybis[2-ethoxy- Synonym
- Ether, bis(2-ethoxyethyl) Synonym
- 1,1′-Oxybis[2-ethoxyethane] Synonym
- 3,6,9-Trioxaundecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.23 g/mol | CAS Common Chemistry |
| 162.22899999999998 g/mol | RDKit | |
| 162.229 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.907 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylene_glycol_diethyl_ether | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 162.125594436 g/mol | RDKit |
| Boiling Point | 188 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 162.23 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18O3.
