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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 Weight:
90.122 g/mol
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
Identifiers:
SMILES:
CCOCCO
InChI:
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.122 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.015200000000000047 | RDKit |
| wikipedia-name | 2-Ethoxyethanol None | Legacy Database |
| molecular_mass | 90.12 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Ethoxyethanol None | Legacy Database |
| cas-boiling-point | 135.6 °C None | Legacy Database |
| cas-canonical-smile | OCCOCC None | Legacy Database |
| cas-density | 0.931 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZNQVEEAIQZEUHB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -70 °C None | Legacy Database |
| cas-name | Glycol monoethyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.578799999999994 | RDKit |