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2-(2-Ethoxyethoxy)Ethanol
CAS: 111-90-0 | C6H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-90-0
- Molecular Formula
- C6H14O3
- Molecular Mass
- 134.17 g/mol
Identifiers
CAS Registry Number
111-90-0
SMILES
CCOCCOCCO
InChI Key
XXJWXESWEXIICW-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
Names and Synonyms
- 2-(2-Ethoxyethoxy)Ethanol Systematic Name
- Ethanol, 2-(2-ethoxyethoxy)- Synonym
- Ethanol, 2-(β-ethoxyethoxy)- Synonym
- 2-(2-Ethoxyethoxy)ethanol Synonym
- Diethylene glycol ethyl ether Synonym
- Diglycol monoethyl ether Synonym
- Dioxitol Synonym
- Dowanol DE Synonym
- Ethylene diglycol monoethyl ether Synonym
- Poly-Solv DE Synonym
- Solvolsol Synonym
- Carbitol Synonym
- Ethyl carbitol Synonym
- Transcutol Synonym
- Ethyl digol Synonym
- Ektasolve DE Synonym
- Diethylene glycol monoethyl ether Synonym
- 1-Hydroxy-3,6-dioxaoctane Synonym
- O-Ethyl digol Synonym
- Ethanol, 2,2′-oxybis-, monoethyl ether Synonym
- 2-(2′-Ethoxyethoxy)ethanol Synonym
- 3,6-Dioxa-1-octanol Synonym
- Ethyldiethylene glycol Synonym
- Carbitol Solvent Low Synonym
- Transcutol P Synonym
- Ethyl Diglysolv Synonym
- Trivalin SF Synonym
- Transcutol CG Synonym
- Shihozoru DG Synonym
- NSC 408451 Synonym
- Transcutol HP Synonym
- Seahosol DG Synonym
- Seahosol DG-L Synonym
- Ethoxydiethylene glycol Synonym
- 2-(2-Ethoxyethoxy)ethan-1-ol Synonym
- Seahosol DG-S Synonym
- Glycol ether de Synonym
- EDG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.17 g/mol | CAS Common Chemistry |
| 134.175 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.989 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-(2-Ethoxyethoxy)ethanol | CAS Common Chemistry |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XXJWXESWEXIICW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -76 °C | CAS Common Chemistry |
| Name | Diethylene glycol monoethyl ether | CAS Common Chemistry |
| 2-(2-Ethoxyethoxy)ethanol | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 0.031799999999999884 | RDKit |
| 0.0318 | RDKit | |
| Molar Refractivity | 34.39779999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.094294308 g/mol | RDKit |
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
Related
Related molecules
Other compounds with formula C6H14O3.
