Bis(hydroxymethyl)malonic acid diethyl ester
Diethyl bis(hydroxymethyl)malonate
CAS: 20605-01-0
Molecular Formula: C9H16O6
Bis(hydroxymethyl)malonic acid diethyl ester - Names and Identifiers
Bis(hydroxymethyl)malonic acid diethyl ester - Physico-chemical Properties
| Molecular Formula | C9H16O6 |
| Molar Mass | 220.22 |
| Density | 1.2286 (rough estimate) |
| Melting Point | 49-51 °C (lit.) |
| Boling Point | 281.15°C (rough estimate) |
| Flash Point | >230°F |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 2.45E-06mmHg at 25°C |
| Appearance | White solid |
| Color | White to almost white |
| BRN | 1788515 |
| pKa | 12.59±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4390 (estimate) |
| MDL | MFCD00009130 |
Bis(hydroxymethyl)malonic acid diethyl ester - 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. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29181998 |
| Hazard Class | IRRITANT |
Bis(hydroxymethyl)malonic acid diethyl ester - Reference Information
| introduction | diethyl dihydroxymethyl malonate is a carboxylate organic substance and can be used as an organic intermediate. |
| production method | 1. preparation method: 60g(2.0mol) of formaldehyde aqueous solution containing formaldehyde is added into a reaction bottle equipped with a stirrer, a thermometer and a dropping funnel, 8g of potassium carbonate is cooled in a water bath, and diethyl malonate (2)160g(1.0mol) is added dropwise under stirring, control the internal temperature of 25~30 ℃, about 40~50min. After adding, continue stirring for 1h. Add 320mL of saturated ammonium sulfate solution and extract with ether twice, 320mL with ether each time. The ether layer is combined, and the anhydrous sodium sulfate is dried. Distillate to recover ether, and then evaporate low boiling point matter under reduced pressure, and precipitate solid at about 40 ℃. Add 500mL of isopropyl ether, add and dissolve, and freeze and precipitate. Suction filtration and vacuum drying resulted in white solid diethyl dihydroxymethyl malonate (1)158-166g with a yield of 72%-75%. Re-crystallize with isopropyl ether to obtain pure product. [1] |
| NIST chemical information | The information is: webbook.nist.gov provides (external link) |
| EPA chemical information | The information is: offered by ofmpub.epa.gov (external link) |
Last Update：2024-04-10 22:29:15
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