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| IUPAC Name: | ethyl 4-oxopentanoate |
| Description: | Ethyl levulinate (CAS# 539-88-8) is a compound that is produced through the esterification of Levulinic acid (L379500) and has the potential to be used as an octane booster for gasoline and a hybrid biodiesel fuel. Ethyl levulinate is also used as food flavouring. |
| Molecular Weight: | 144.17 |
| Molecular Formula: | C7H12O3 |
| Canonical SMILES: | CCOC(=O)CCC(=O)C |
| InChI: | InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 |
| InChI Key: | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| Boiling Point: | 205.80 ℃ (EPI 4.0) |
| Melting Point: | < 25 °C |
| Flash Point: | 90°C |
| Purity: | 98.0 % |
| Density: | 1.012 g/cm3 |
| Solubility: | Soluble in water and alcohols. |
| Appearance: | Colorless to pale yellow liquid |
| Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
| MDL: | MFCD00009209 |
| LogP: | 0.91870 |
| Refractive Index: | 1.420 : 1.425 at 20 deg C |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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