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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
Names and Synonyms:
2-Ethoxyethanol
Ethanol, 2-ethoxy-
2-Ethoxyethanol
Emkanol
Ethylene glycol monoethyl ether
Glycol monoethyl ether
Oxitol
Poly-Solv EE
Cellosolve
Ethoxyethanol
β-Ethoxyethanol
Ethylene glycol ethyl ether
Ethyl Cellosolve
2-Ethoxyethyl alcohol
Ektasolve EE
Dowanol EE
Bikanol E 1
Solvid
Monoethylene glycol ethyl ether
Ethyl 2-hydroxyethyl ether
Shihozoru MG
NSC 8837
Seahosol MG
2-Ethoxyethan-1-ol
Identifiers:
SMILES:
CCOCCO
InChI:
InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
Key Properties
Boiling Point
135.6 °C
CAS Common Chemistry
Melting Point
-70 °C
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.12 g/mol | CAS Common Chemistry |
| 90.122 g/mol | RDKit | |
| 90.06807956 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.931 g/cm3 @ Temp: 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 |
| Molar Refractivity | 23.578799999999994 | RDKit |
