2-Methyl-1,3-cyclohexanedione
2-Methyl-1,3-cyclohexanedione
CAS: 1193-55-1
Molecular Formula: C7H10O2
2-Methyl-1,3-cyclohexanedione - Names and Identifiers
| Name | 2-Methyl-1,3-cyclohexanedione |
| Synonyms | 2-MECHD NSC 54460 2-METHYL-1,3-CYCLOHEXANDIONE 2-Methylcyclohexane-1,3-dione 2-METHYL-1,3-CYCLOHEXANEDIONE 2-METHYLCYCLOHEXANE-1,3-DIONE 2-Methyl-1,3-cyclohexanedione 1-Methyl-2,6-cyclohexanedione 1,3-DIMETHYLCYCLOADIPIC KETONE 3-hydroxy-2-methylcyclohex-2-en-1-one |
| CAS | 1193-55-1 |
| EINECS | 214-773-9 |
| InChI | InChI=1/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h8H,2-4H2,1H3 |
| InChIKey | VSGJHHIAMHUZKF-UHFFFAOYSA-N |
2-Methyl-1,3-cyclohexanedione - Physico-chemical Properties
| Molecular Formula | C7H10O2 |
| Molar Mass | 126.15 |
| Density | 1.0579 (rough estimate) |
| Melting Point | 206-208 °C (lit.) |
| Boling Point | 194.28°C (rough estimate) |
| Flash Point | 91.7°C |
| Water Solubility | INSOLUBLE |
| Solubility | methanol: 0.1g/mL, clear |
| Vapor Presure | 0.0157mmHg at 25°C |
| Appearance | White to yellow or orange powder |
| Color | Off-white to salmon to pale brown |
| BRN | 1281598 |
| pKa | 5.58±0.25(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Hygroscopic |
| Refractive Index | 1.4660 (estimate) |
| MDL | MFCD00001587 |
2-Methyl-1,3-cyclohexanedione - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 3-10 |
| HS Code | 29142900 |
2-Methyl-1,3-cyclohexanedione - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | 2-methyl -1,3-cyclohexanedione is an important chemical raw material and can be used as an intermediate for synthesizing many products. Derivatives of its downstream products 2, 6-dihydroxytoluene have been widely used in the preparation of cosmetics and the like. |
| preparation | 200g of methanol, 70g of 40% dimethylamine solution and 56g of 1,3-cyclohexanedione are added to a three-mouth flask with a stirring device, stirred at normal temperature for 30min, cooled to 0-10 ℃, slowly dripped 53g of 37% formaldehyde solution, and stirred for 5h., and then transfer the reaction liquid to a high-pressure reactor, add 4g of 5% Pd/C catalyst, and react at 1MPa and normal temperature for 10h. Take out the reaction liquid, filter out the catalyst, add 200g of water to the mother liquor, evaporate the methanol under reduced pressure, adjust the PH to 6 with 35% hydrochloric acid at room temperature, precipitate a large amount of solids, filter, and dry to obtain 54.1g (yield 87.3%)2-methyl -1,3-cyclohexanedione, and the purity detected by liquid phase is 97.5%. |
Last Update：2024-04-09 21:11:58
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