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Molecule
Ethyl Glycidate
CAS: 4660-80-4 · C5H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4660-80-4
- Molecular Formula
- C5H8O3
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
4660-80-4
SMILES
CCOC(=O)C1CO1
InChI Key
LSGWSXRILNPXKJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3
Names and Synonyms
- Ethyl Glycidate Common Name
- 2-Oxiranecarboxylic acid, ethyl ester Synonym
- Glycidic acid, ethyl ester Synonym
- Oxiranecarboxylic acid, ethyl ester Synonym
- Ethyl glycidate Synonym
- Ethyl oxiranecarboxylate Synonym
- (Ethoxycarbonyl)oxirane Synonym
- Ethyl 2-oxiranecarboxylate Synonym
- Oxirane-2-carboxylic acid ethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11599999999999 g/mol | RDKit | |
| 116.116 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.085 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC)C1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O3/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LSGWSXRILNPXKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl glycidate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.83 Ų | RDKit |
| 35.53 Ų | chempirical lib | |
| LogP | -0.05170000000000008 | RDKit |
| -0.0517 | RDKit | |
| Molar Refractivity | 26.37299999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 116.047344116 g/mol | RDKit |
| Boiling Point | 88-90 °C @ 60 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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 = 116.12 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O3.
