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Molecule
Ethyl 3-Ethoxypropionate
CAS: 763-69-9 · C7H14O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 763-69-9
- Molecular Formula
- C7H14O3
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
763-69-9
SMILES
CCOCCC(=O)OCC
InChI Key
BHXIWUJLHYHGSJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
Names and Synonyms
- Ethyl 3-Ethoxypropionate Common Name
- Propanoic acid, 3-ethoxy-, ethyl ester Synonym
- Propionic acid, 3-ethoxy-, ethyl ester Synonym
- Ethyl β-ethoxypropionate Synonym
- Ethyl 3-ethoxypropionate Synonym
- 3-Ethoxypropionic acid ethyl ester Synonym
- Ethyl 3-ethoxypropanoate Synonym
- Ethyl 4-oxahexanoate Synonym
- Ektapro EEP Synonym
- Ucar Ester EEP Synonym
- NSC 8870 Synonym
- Sankio EEP Synonym
- Ethyl ethoxypropionate Synonym
- Solfine EP Synonym
- β-Ethoxypropionic acid ethyl ester Synonym
- Powerblox SV 33 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.18599999999998 g/mol | RDKit | |
| 146.186 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9536 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC)CCOCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BHXIWUJLHYHGSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 3-ethoxypropionate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.9761000000000001 | RDKit |
| 0.9761 | RDKit | |
| Molar Refractivity | 37.743 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 146.094294308 g/mol | RDKit |
| Boiling Point | 49.5-49.8 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 146.19 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14O3.
