3-Methylsalicylic acid
- Product Name3-Methylsalicylic acid
- CAS83-40-9
- MFC8H8O3
- MW152.15
- EINECS201-473-8
- MOL File83-40-9.mol
Chemical Properties
| Melting point | 163-165 °C (lit.) |
| Boiling point | 234.6°C (rough estimate) |
| Density | 1.2143 (rough estimate) |
| vapor pressure | 0.065-0.307Pa at 25℃ |
| refractive index | 1.4945 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | methanol: soluble5%, clear to slightly hazy (colorlessto faint brown) |
| form | Fine Powder |
| pka | pK1:2.99 (25°C) |
| color | Almost white |
| PH | 2.8 (1.5g/l, H2O, 20℃) |
| Water Solubility | 1.5 g/L (20 ºC) |
| Merck | 14,2581 |
| BRN | 2086811 |
| InChI | 1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChIKey | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C(O)=O)c1O |
| LogP | 2.79-2.86 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-37/38-41 |
| Safety Statements | 26-36/39-22 |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | BZ4385000 |
| TSCA | TSCA listed |
| HS Code | 29182990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Toxicity | LD50 oral in rat: 445mg/kg |
