NSC 66523
3-methylpyrocatechol
CAS: 488-17-5
Molecular Formula: C7H8O2
NSC 66523 - Names and Identifiers
NSC 66523 - Physico-chemical Properties
| Molecular Formula | C7H8O2 |
| Molar Mass | 124.14 |
| Density | 1.1006 (rough estimate) |
| Melting Point | 65-68°C(lit.) |
| Boling Point | 241°C(lit.) |
| Flash Point | 140 °C |
| Water Solubility | soluble |
| Solubility | Acetonitrile (Slightly), Benzene (Slightly), Chloroform (Slightly) |
| Vapor Presure | 0.0239mmHg at 25°C |
| Appearance | White to brown crystals |
| Color | Grey |
| BRN | 774602 |
| pKa | 9.91±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Sensitive | Sensitive to light and air |
| Refractive Index | 1.5286 (estimate) |
| MDL | MFCD00016435 |
| Physical and Chemical Properties | 3-methyl benzene two phenol is gray solid at room temperature and atmospheric pressure, and has a certain solubility in water. There are two phenolic hydroxyl groups in the structure with a certain degree of acidity. |
NSC 66523 - 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. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | 2811 |
| WGK Germany | 3 |
| RTECS | UX1910000 |
| TSCA | Yes |
| HS Code | 29072990 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
NSC 66523 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | 3-methylbenzenediol is a phenolic derivative, which can be used as an intermediate in pharmaceutical chemistry and organic synthesis. In organic synthesis and transformation, the structure The two phenolic hydroxyl groups in China can combine with boron and phosphine atoms to form the corresponding borate or phosphate. |
| synthesis method | 2-hydroxy-3-methylbenzaldehyde (0.2 mmol), Flavin catalyst (0.02 mmol, 0.1 equivalent), 1M sodium bicarbonate aqueous solution (200 μL, 1 equivalent), 35% hydrogen peroxide solution (5 equivalents, 120 microliters) and 2mL of solvent (MeOH/H2O = 95/5) were added to a glass vial filled with a stirring rod, the mixture was stirred at room temperature for 3 hours, and the reaction progress was monitored through a TLC dot plate until the starting substance disappeared. After the reaction, transfer the mixture to a round bottom flask, add 50 mg of silica gel to the mixture, and evaporate the solvent under reduced pressure. The product-silica gel complex was loaded on the column with 1:3 ethyl acetate/n-hexane as eluent, and 3-methylbenzodiol was purified by column chromatography. Fig. 3-synthesis route of methylbenzodiol |
Last Update：2024-04-10 22:29:15
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