2-环己酮基羧酸乙酯
Ethyl 2-cyclohexanonecarboxylate
CAS: 1655-07-8
Molecular Formula: C9H14O3
2-环己酮基羧酸乙酯 - Names and Identifiers
2-环己酮基羧酸乙酯 - Physico-chemical Properties
| Molecular Formula | C9H14O3 |
| Molar Mass | 170.21 |
| Density | 1.064 g/mL at 25 °C (lit.) |
| Melting Point | 101 °C |
| Boling Point | 106 °C/11 mmHg (lit.) |
| Flash Point | 185°F |
| Water Solubility | Soluble in water. |
| Solubility | Chloroform (Sparingly), Methanol (Sparingly) |
| Vapor Presure | 8.7Pa at 25℃ |
| Appearance | Oil |
| Color | Colourless |
| BRN | 608356 |
| pKa | 12.06±0.20(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.477(lit.) |
2-环己酮基羧酸乙酯 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29183000 |
| Hazard Class | IRRITANT |
2-环己酮基羧酸乙酯 - Reference Information
| LogP | 1.08 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | ethyl 2-cyclohexanone formate is a brown oily liquid, it is obtained by extracting hydrogen with sodium hydrogen and then reacting with diethyl carbonate. It has been reported in the literature that it can be used to prepare a decabromodiphenyl ether labeled with radioactive carbon -14 using ethyl 2-cyclohexanone formate. |
| preparation | add diethyl carbonate (1.2 mL, mol) and ML of dry tetrahydrofuran to a ML three-necked flask, naH (60%,63G, 1.6mol) was added with stirring and the reaction was refluxed for 1h before the dropwise addition of cyclohexanone (50ml, 0.48mol) in THF (50ml) was started over about 0.5h. Reflux was continued for 1.5h after the addition was completed. After cooling, it was adjusted to Neutral with 3N hydrochloric acid, then poured into brine and extracted with dichloromethane (75ml x 3). The organic layer was dried and distilled under reduced pressure to give a brown oily liquid (66G, yield 80%) as crude ethyl 2-cyclohexanone formate, which was directly used for the next reaction. |
Last Update：2024-04-10 22:29:15
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View History
2-环己酮基羧酸乙酯
1-乙酰-4-哌啶甲酰氯
Thiohypobromous acid, anhydrosulfide with O,O-bis(1-methylethyl) hydrogen phosphorothioate (9CI)
1,5,9-Decatriene, (5E)-
Bicyclo[2.2.2]octanone, 6-hydroxy-1-methyl-, (1R,4S,6R)-rel- (9CI)
Dimedone bis(4-phenylthiosemicarbazone)
(S)-2-羟丙基4-甲基苯磺酸盐
3-氟-4-(三氟甲基)苯甲酸乙酯
癸酸钠(葵酸纳、十烷酸钠盐、羊蜡酸钠盐)
-氨基偶氮苯-4-磺酸
1-乙酰-4-哌啶甲酰氯
Thiohypobromous acid, anhydrosulfide with O,O-bis(1-methylethyl) hydrogen phosphorothioate (9CI)
1,5,9-Decatriene, (5E)-
Bicyclo[2.2.2]octanone, 6-hydroxy-1-methyl-, (1R,4S,6R)-rel- (9CI)
Dimedone bis(4-phenylthiosemicarbazone)
(S)-2-羟丙基4-甲基苯磺酸盐
3-氟-4-(三氟甲基)苯甲酸乙酯
癸酸钠(葵酸纳、十烷酸钠盐、羊蜡酸钠盐)
-氨基偶氮苯-4-磺酸