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2-Ethoxyethyl Acetate
CAS: 111-15-9 | C6H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-15-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.159 g/mol
Names and Synonyms:
2-Ethoxyethyl Acetate
Ethanol, 2-ethoxy-, 1-acetate
Ethanol, 2-ethoxy-, acetate
β-Ethoxyethyl acetate
2-Ethoxyethyl acetate
Ethylene glycol ethyl ether acetate
Ethylene glycol monoethyl ether acetate
Glycol monoethyl ether acetate
Poly-Solv EE acetate
Cellosolve acetate
O-Ethylglycol acetate
Oxitol acetate
2-Ethoxyethanol acetate
Ethyl cellosolve acetate
Ethylene glycol monoethyl ether monoacetate
1-Acetoxy-2-ethoxyethane
Ethylene glycol acetate monoethyl ether
NSC 8658
2-Ethyloxyethyl acetate
Ethyl glycol acetate
Identifiers:
SMILES:
CCOCCOC(C)=O
InChI:
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
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 | 132.159 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5860000000000001 | RDKit |
| molecular_mass | 132.16 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Ethoxyethyl_acetate None | Legacy Database |
| cas-boiling-point | 156 °C None | Legacy Database |
| cas-canonical-smile | O=C(OCCOCC)C None | Legacy Database |
| cas-density | 0.975 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SVONRAPFKPVNKG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -61.7 °C None | Legacy Database |
| cas-name | Glycol monoethyl ether acetate None | Legacy Database |
| wikipedia-name | 2-Ethoxyethyl acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.12599999999999 | RDKit |
