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Molecule
Diethylene Glycol Methyl Ethyl Ether
CAS: 1002-67-1 · C7H16O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1002-67-1
- Molecular Formula
- C7H16O3
- Molecular Mass
- 148.20 g/mol
Identifiers
CAS Registry Number
1002-67-1
SMILES
CCOCCOCCOC
InChI Key
CNJRPYFBORAQAU-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3
Names and Synonyms
- Diethylene Glycol Methyl Ethyl Ether Common Name
- Ethane, 1-ethoxy-2-(2-methoxyethoxy)- Synonym
- Ethane, 1-(2-ethoxyethoxy)-2-methoxy- Synonym
- 1-Ethoxy-2-(2-methoxyethoxy)ethane Synonym
- Diethylene glycol, ethyl methyl ether Synonym
- Ethanol, 2,2′-oxybis-, ethyl methyl ether Synonym
- Diethylene glycol methyl ethyl ether Synonym
- Hisolve EDM Synonym
- Hysorb EDM Synonym
- Hisolve EDM-S Synonym
- 1-(2-Ethoxyethoxy)-2-methoxyethane Synonym
- EDM-S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.20 g/mol | CAS Common Chemistry |
| 148.202 g/mol | RDKit | |
| Boiling Point | 179 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CNJRPYFBORAQAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethylene glycol methyl ethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.6859 | RDKit |
| Molar Refractivity | 39.188 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.109944372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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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.
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MW = 148.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O3.
