2-Benzylbenzoic acid
- Product Name2-Benzylbenzoic acid
- CAS612-35-1
- MFC14H12O2
- MW212.24
- EINECS210-305-2
- MOL File612-35-1.mol
Chemical Properties
| Melting point | 112-115 °C(lit.) |
| Boiling point | 312.08°C (rough estimate) |
| Density | 1.1035 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO : ≥ 100 mg/mL (471.14 mM) |
| form | Solid |
| pka | 4.13±0.36(Predicted) |
| color | White to off-white |
| InChI | 1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) |
| InChIKey | FESDHLLVLYZNFY-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1Cc2ccccc2 |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |
