Ethyl 4-oxocyclohexanecarboxylate
Synonym(s):4-(Ethoxycarbonyl)cyclohexanone;Ethyl cyclohexanone-4-carboxylate
- CAS NO.：17159-79-4
- Empirical Formula: C9H14O3
- Molecular Weight: 170.21
- MDL number: MFCD00013285
- EINECS: 628-731-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-06 16:20:44
What is Ethyl 4-oxocyclohexanecarboxylate?
Chemical properties
clear colorless to yellow liquid
The Uses of Ethyl 4-oxocyclohexanecarboxylate
Ethyl 4-oxocyclohexanecarboxylate is a cyclohexanone derivative used in the study of cyclohexanone monooxygenase and its mutants as catalysts.It is also employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.
The Uses of Ethyl 4-oxocyclohexanecarboxylate
Employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2
The Uses of Ethyl 4-oxocyclohexanecarboxylate
Employed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.
Definition
ChEBI: Ethyl 4-oxocyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of 4-oxocyclohexanecarboxylic acid with ethanol. It is an ethyl ester, a cyclohexanecarboxylate ester and a member of cyclohexanones. It is functionally related to a 4-oxocyclohexanecarboxylic acid.
Properties of Ethyl 4-oxocyclohexanecarboxylate
| Melting point: | 221-226 °C |
| Boiling point: | 150-152 °C/40 mmHg (lit.) |
| Density | 1.068 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Liquid |
| color | Clear colorless to yellow |
| Specific Gravity | 1.07 |
| Water Solubility | insoluble |
| BRN | 2520501 |
| CAS DataBase Reference | 17159-79-4(CAS DataBase Reference) |
Safety information for Ethyl 4-oxocyclohexanecarboxylate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Ethyl 4-oxocyclohexanecarboxylate
| InChIKey | ZXYAWONOWHSQRU-UHFFFAOYSA-N |
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