4-Benzoylbutyric acid
- Product Name4-Benzoylbutyric acid
- CAS1501-05-9
- MFC11H12O3
- MW192.21
- EINECS216-113-5
- MOL File1501-05-9.mol
Chemical Properties
| Melting point | 126-129 °C(lit.) |
| Boiling point | 380.8±25.0 °C(Predicted) |
| Density | 1.164±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| pka | 4.63±0.10(Predicted) |
| form | Crystalline Powder |
| color | Off-white to light beige |
| Water Solubility | Insoluble in water. |
| BRN | 641947 |
| InChI | InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
| InChIKey | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)C(=O)CCCC(=O)O |
| CAS DataBase Reference | 1501-05-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
