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Molecule
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 Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
111-15-9
SMILES
CCOCCOC(C)=O
InChI Key
SVONRAPFKPVNKG-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
Names and Synonyms
- 2-Ethoxyethyl Acetate Synonym
- Ethanol, 2-ethoxy-, 1-acetate Synonym
- Ethanol, 2-ethoxy-, acetate Synonym
- β-Ethoxyethyl acetate Synonym
- 2-Ethoxyethyl acetate Synonym
- Ethylene glycol ethyl ether acetate Synonym
- Ethylene glycol monoethyl ether acetate Synonym
- Glycol monoethyl ether acetate Synonym
- Poly-Solv EE acetate Synonym
- Cellosolve acetate Synonym
- O-Ethylglycol acetate Synonym
- Oxitol acetate Synonym
- 2-Ethoxyethanol acetate Synonym
- Ethyl cellosolve acetate Synonym
- Ethylene glycol monoethyl ether monoacetate Synonym
- 1-Acetoxy-2-ethoxyethane Synonym
- Ethylene glycol acetate monoethyl ether Synonym
- NSC 8658 Synonym
- 2-Ethyloxyethyl acetate Synonym
- Ethyl glycol acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.159 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.975 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Ethoxyethyl_acetate | CAS Common Chemistry |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SVONRAPFKPVNKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -61.7 °C | CAS Common Chemistry |
| Name | Glycol monoethyl ether acetate | CAS Common Chemistry |
| 2-Ethoxyethyl acetate | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.5860000000000001 | RDKit |
| 0.586 | RDKit | |
| Molar Refractivity | 33.12599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 132.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 132.16 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O3.
