3,5-Dimethylbenzoic acid
- Product Name3,5-Dimethylbenzoic acid
- CAS499-06-9
- MFC9H10O2
- MW150.17
- EINECS207-876-5
- MOL File499-06-9.mol
Chemical Properties
| Melting point | 169-171 °C (lit.) |
| Boiling point | 271.51°C (estimate) |
| Density | 1.0937 (estimate) |
| refractive index | 1.5188 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Crystalline Powder |
| pka | 4.32(at 25℃) |
| color | White to light yellow |
| Water Solubility | Soluble in methanol. (1 g/10 mL). Slightly soluble in water. |
| BRN | 1072182 |
| InChI | InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey | UMVOQQDNEYOJOK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C)=CC(C)=C1 |
| CAS DataBase Reference | 499-06-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3,5-dimethyl-(499-06-9) |
| EPA Substance Registry System | Benzoic acid, 3,5-dimethyl- (499-06-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | DG8734030 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
