Phenylglyoxylic acid methyl ester
Methyl benzoylformate
CAS: 15206-55-0
Molecular Formula: C9H8O3
Phenylglyoxylic acid methyl ester - Names and Identifiers
Phenylglyoxylic acid methyl ester - Physico-chemical Properties
| Molecular Formula | C9H8O3 |
| Molar Mass | 164.16 |
| Density | 1.155 g/mL at 25 °C (lit.) |
| Melting Point | 16°C |
| Boling Point | 246-248 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | 2g/L at 20℃ |
| Appearance | Liquid |
| Specific Gravity | 1.161.155 |
| Color | Clear yellow |
| BRN | 1100868 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.528 |
| Physical and Chemical Properties | Density 1.155 boiling point 246-248°C refractive index 1.525-1.527 |
Phenylglyoxylic acid methyl ester - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 1 |
| HS Code | 29183000 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 5000 mg/kg |
Phenylglyoxylic acid methyl ester - Reference Information
| LogP | 1.9 at 23℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| preparation of benzoyl formic acid | hydrolysis of methyl benzoyl formate to give good quality benzoyl formic acid |
| gas chromatographic analysis of 2, 4-dichloro-5-aminophenyl isopropyl ether | with 2.5% OV-210, 2M stainless steel packed column, with methyl benzoylformate as internal standard, at 145 ℃ column temperature, 2, 4-dichloro-5-aminophenyl isopropyl ether and 2, A mixture of 4-dichloro-5-nitrophenyl isopropyl ether was quantitatively analyzed. The coefficient of variation was 0.22% and 0.23%, the average recovery was 99.96% and 100.07%, the linear correlation coefficient was 0.9999. |
| Use | methyl benzoylformate is an intermediate of the herbicide buprozin. used in organic synthesis. UV-curable coatings and inks |
| production method | obtained by esterification of benzoyl acid with methanol. Cyclomethanol and benzoylformic acid were added to the reaction pot, and sulfuric acid was added slowly with stirring. After heating to reflux for 12h, excess methanol was recovered. The esterification was neutralized with dilute sodium carbonate solution, the oil layer was separated, and the water layer was extracted with benzene. The extract was combined with the oil layer, dried over anhydrous sodium sulfate, and then distilled. The solvent benzene was recovered first, and then the low boiling matter was distilled off under reduced pressure. Then the 137-146 ° C. (2.4kPa) fraction was collected and taken as methyl benzoylformate. The raw material benzoylformic acid used was obtained by oxidation of styrene (see 04960), and the yield of esterification based on benzoylformic acid was more than 50%. The preparation method is to add sodium chloride and sulfuric acid in the reaction bottle, stir at room temperature, Dropwise add benzoyl nitrile, control the temperature at about 30 ℃, and keep the heat for 3 h after dropping, then methanol was added dropwise, and the temperature was raised and refluxed for 5 h. After the reaction was completed, methanol was removed under reduced pressure to obtain a finished product. |
| spontaneous combustion temperature | >500°C |
Last Update：2024-04-09 20:52:54
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