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2-Ethoxyethanol
CAS: 110-80-5 | C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-80-5
- Molecular Formula
- C4H10O2
- Molecular Mass
- 90.12 g/mol
Identifiers
CAS Registry Number
110-80-5
SMILES
CCOCCO
InChI Key
ZNQVEEAIQZEUHB-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
Names and Synonyms
- 2-Ethoxyethanol Synonym
- Ethanol, 2-ethoxy- Synonym
- 2-Ethoxyethanol Synonym
- Emkanol Synonym
- Ethylene glycol monoethyl ether Synonym
- Glycol monoethyl ether Synonym
- Oxitol Synonym
- Poly-Solv EE Synonym
- Cellosolve Synonym
- Ethoxyethanol Synonym
- β-Ethoxyethanol Synonym
- Ethylene glycol ethyl ether Synonym
- Ethyl Cellosolve Synonym
- 2-Ethoxyethyl alcohol Synonym
- Ektasolve EE Synonym
- Dowanol EE Synonym
- Bikanol E 1 Synonym
- Solvid Synonym
- Monoethylene glycol ethyl ether Synonym
- Ethyl 2-hydroxyethyl ether Synonym
- Shihozoru MG Synonym
- NSC 8837 Synonym
- Seahosol MG Synonym
- 2-Ethoxyethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.12 g/mol | CAS Common Chemistry |
| 90.122 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.931 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Ethoxyethanol | CAS Common Chemistry |
| Boiling Point | 135.6 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNQVEEAIQZEUHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | Glycol monoethyl ether | CAS Common Chemistry |
| 2-Ethoxyethanol | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.015200000000000047 | RDKit |
| 0.0152 | RDKit | |
| Molar Refractivity | 23.578799999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 90.06807956 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 C4H10O2.
