4-Benzoylbutyric acid
- Product Name4-Benzoylbutyric acid
- CAS1501-05-9
- CBNumberCB0733962
- MFC11H12O3
- MW192.21
- EINECS216-113-5
- MDL NumberMFCD00004411
- MOL File1501-05-9.mol
- MSDS FileSDS
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) |
| FDA UNII | 595CFD21KA |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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