Acetophenone, hexahydro-
Cyclohexyl methyl ketone
CAS: 823-76-7
Molecular Formula: C8H14O
Acetophenone, hexahydro- - Names and Identifiers
| Name | Cyclohexyl methyl ketone |
| Synonyms | Acetylcyclohexane 1-Acetylcyclohexane Cyclohexane, acetyl- 1-Cyclohexylethanone 1-cyclohexylethanone 1-cyclohexyl-ethanone 1-CYCLOHEXYLETHAN-1-ONE Ethanone, 1-cyclohexyl- Acetophenone, hexahydro- Cyclohexyl methyl ketone Ketone, cyclohexyl methyl Acetylcyclohexane~Hexahydroacetophenone~Methyl cyclohexyl ketone |
| CAS | 823-76-7 |
| EINECS | 212-517-0 |
| InChI | InChI=1/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
Acetophenone, hexahydro- - Physico-chemical Properties
| Molecular Formula | C8H14O |
| Molar Mass | 126.2 |
| Density | 0,917 g/cm3 |
| Melting Point | -34°C |
| Boling Point | 181-183°C |
| Flash Point | 57°C |
| Water Solubility | Not miscible or difficult to mix in water. |
| Solubility | Chloroform, Ethyl Acetate (Slightly) |
| Vapor Presure | 0.849mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.92 |
| Color | Colourless |
| BRN | 507229 |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4520 |
| MDL | MFCD00040418 |
Acetophenone, hexahydro- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 1993 |
| RTECS | KM5638850 |
| HS Code | 29142990 |
| Hazard Note | Irritant |
| Hazard Class | 3.2 |
| Packing Group | III |
Acetophenone, hexahydro- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| production method | 1. Preparation Method: In the reaction flask equipped with stirrer, reflux condenser, dropping funnel, ventilation tube, add 100ml 1, 2-dimethoxyethane, methyl lithium 1.39g(0.174mol), A solution of 19.25g(0.15mol) of cyclohexylcarboxylic acid (2) dissolved in 50ml of 1, 2-dimethoxyethane was added dropwise under vigorous stirring for about 10min, and after the addition was completed, the mixture was stirred and refluxed for 2.5h. During the reaction, hydrogen gas was evolved and a lithium salt was formed. The ice bath was cooled to 10 °c and 123mL of a solution containing 0.170mol of methyl lithium in diethyl ether was added dropwise over 30min with vigorous stirring. After addition, the ice bath was removed, and the reaction was stirred at room temperature for 2H. With continuous introduction of nitrogen gas, dilute hydrochloric acid prepared from 27ml of concentrated hydrochloric acid and 400ml of water was slowly added dropwise, 100ml of diethyl ether was added, and the aqueous layer was saturated with sodium chloride. The ether layer was separated and the basic aqueous layer was extracted three times with ether. Combine the ether layers, dry over anhydrous magnesium sulfate, distill off the ether with a Wechsler fractionation column, distill off the 1, 2-dimethylethane, and finally fractionate the remaining pale yellow liquid under reduced pressure, fractions of 57-60 °c/1.064kPa were collected to give 17.1-17.7g of colorless liquid (1) in a yield of 91%-94%. [1] |
Last Update：2024-04-09 19:05:15
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