| Ethyl 2-oxocyclohexanecarboxylate Basic information |
| Product Name: | Ethyl 2-oxocyclohexanecarboxylate |
| Synonyms: | 2-oxo-cyclohexanecarboxylicaciethylester;Ethyl 1-oxo-2-cyclohexanecarboxylate;Ethyl 2-cyclohexanone-1-carboxylate;Ethyl 2-oxo-1-cyclohexanecarboxylate;Ethyl 2-oxocylohexanecarboxylate;Ethyl 2-oxylcyclohexanecarboxylic;2-CARBETHOXYCYCLOHEXANONE;AKOS 91391 |
| CAS: | 1655-07-8 |
| MF: | C9H14O3 |
| MW: | 170.21 |
| EINECS: | 216-731-5 |
| Product Categories: | Chemical Synthesis;Esters;Building Blocks;C8 to C9;Carbonyl Compounds;Organic Building Blocks;API intermediates |
| Mol File: | 1655-07-8.mol |
| Ethyl 2-oxocyclohexanecarboxylate Chemical Properties |
| Melting point | 101 °C |
| Boiling point | 106 °C/11 mmHg (lit.) |
| density | 1.064 g/mL at 25 °C (lit.) |
| vapor pressure | 8.7Pa at 25℃ |
| refractive index | n |
| Fp | 185 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Sparingly), Methanol (Sparingly) |
| pka | 12.06±0.20(Predicted) |
| form | Oil |
| color | Colourless |
| Water Solubility | Soluble in water. |
| BRN | 608356 |
| LogP | 1.08 |
| CAS DataBase Reference | 1655-07-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester(1655-07-8) |
| EPA Substance Registry System | Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester (1655-07-8) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 23-24/25-37/39-26-36 |
| WGK Germany | 3 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29183000 |
| MSDS Information |
| Provider | Language |
|---|---|
| ACROS | English |
| SigmaAldrich | English |
| Ethyl 2-oxocyclohexanecarboxylate Usage And Synthesis |
| Chemical Properties | Clear colorless to pale yellow liquid |
| Uses | Ethyl 2-oxocyclohexanecarboxylate is used to produce other chemicals. For example, it can react with 4-methyl-aniline to get 2-oxo-cyclohexanecarboxylic acid p-toluidide. The reaction occurs with reagent DMAP |
| Uses | Ethyl 2-Oxocyclohexanecarboxylate is used in biocatalysis. |
| Synthesis Reference(s) | Canadian Journal of Chemistry, 42, p. 1333, 1964 DOI: 10.1139/v64-205The Journal of Organic Chemistry, 53, p. 878, 1988 DOI: 10.1021/jo00239a038Tetrahedron Letters, 7, p. 2201, 1966 |
| Ethyl 2-oxocyclohexanecarboxylate Preparation Products And Raw materials |
| Raw materials | Tetrahydrofuran-->Toluene-->Sodium hydride-->Diethyl oxalate-->Sodium ethoxide-->Cyclohexanone-->Diethyl carbonate-->Potassium ethylate |
| Preparation Products | 3-METHOXYCYCLOHEXENE-->6-BROMO-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE-->2-HYDROXYCYCLOHEXANECARBOXYLIC ACID-->1,2-Cyclopentanedicarboxylic acid |
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