126-81-8
5,5-Dimethyl-1,3-cyclohexanedione
CAS: 126-81-8
Molecular Formula: C8H12O2
126-81-8 - Names and Identifiers
| Name | 5,5-Dimethyl-1,3-cyclohexanedione |
| Synonyms | DIMEDON Methone Dimedone 5,5-DIMETHYLDIHYDRORESORCINOL 5,5-Dimethyl-1,3-Cyclohexandion 5,5-dimethylcyclohexane-1,3-diol 5,5-Dimethyl-1,3-cyclohexanedione 5,5-dimethylcyclohexane-1,3-dione 1,1-Dimethyl-3,5-cyclohexanedione 5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE 1,3-Cyclohexanedione,5,5-dimethyl- 1,1-Dimethyl-3,5-diketocyclohexane 5,5-DIMETHYL-CYCLOHEXANE-1,3-DIONE 5,5'-DIMETHYLCYCLOHEXANE-1,3-DIONE 1,3-Cyclohexanedione, 5,5-dimethyl- 5,5-Dimethyl-1,3-cyclohexane- dione 3-hydroxy-5,5-dimethylcyclohex-2-en-1-one |
| CAS | 126-81-8 |
| EINECS | 204-804-4 |
| InChI | InChI=1/C8H16O2/c1-8(2)4-6(9)3-7(10)5-8/h6-7,9-10H,3-5H2,1-2H3 |
| InChIKey | BADXJIPKFRBFOT-UHFFFAOYSA-N |
126-81-8 - Physico-chemical Properties
| Molecular Formula | C8H12O2 |
| Molar Mass | 140.18 |
| Density | 1.0373 (rough estimate) |
| Melting Point | 146-148 °C (lit.) |
| Boling Point | 216.69°C (rough estimate) |
| Flash Point | 114.5°C |
| Water Solubility | 0.416 g/100 mL (25 ºC) |
| Solubility | Soluble in methanol; Ethanol; Chloroform; Benzene; Acetic acid and 50% alcohol-water mixture. |
| Vapor Presure | 0.0042mmHg at 25°C |
| Appearance | Bright yellow crystalline powder |
| Color | Clear colorless to yellow |
| Merck | 14,3242 |
| BRN | 471489 |
| pKa | 4.8(at 25℃) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Stability | Stable, but may be light sensitive. Incompatible with strong oxidizing agents. |
| Sensitive | Sensitive to light and heat |
| Refractive Index | 1.4787 (estimate) |
| MDL | MFCD00001588 |
| Physical and Chemical Properties | Melting point 147-150°C water-soluble 0.416g/100 mL (25°C) |
| Use | Used as special reagents for the determination of aldehydes and chromatographic analysis reagents |
126-81-8 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 2 |
| RTECS | GV0345000 |
| FLUKA BRAND F CODES | 8-9 |
| TSCA | Yes |
| HS Code | 29142900 |
126-81-8 - Introduction
Dry crystallization is stable, but its solution can decompose and oxidize even under shading. The solution of this product is red when it meets ferric chloride.
Last Update：2022-10-16 17:13:01
126-81-8 - Reference Information
| LogP | 1.3 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | This product can form insoluble condensates with aldehydes, while ketones do not have this characteristic, so it is used to separate or test aldehydes. The product can also be used as a catalyst for pyridine and a trial agent for chromatography. This product can form insoluble condensates with aldehydes, while ketones do not have this characteristic, so it is used to separate or test aldehydes. The product can also be used as a catalyst for pyridine and a trial agent for chromatography. Used as a special reagent for the determination of aldehydes and chromatographic analysis reagents It can form insoluble derivatives with aldehydes with different melting points (ketones cannot) to separate or verify aldehydes. Used as a catalyst for piperidine. Synthesis of 3 methyl furans. Bisketone can form insoluble condensates with aldehydes, while ketones do not have this characteristic, so they are used to separate or test aldehydes. The product can also be used as a catalyst and chromatography reagent for pyridine. |
| Production method | It is prepared by reacting diethyl malonate with isopropyl acetone and then with potassium hydroxide. |
Last Update：2024-04-10 22:29:15
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