2051-95-8
| Name | 3-BENZOYLPROPIONIC ACID |
| CAS | 2051-95-8 |
| EINECS(EC#) | 218-135-0 |
| Molecular Formula | C10H10O3 |
| MDL Number | MFCD00002792 |
| Molecular Weight | 178.18 |
| MOL File | 2051-95-8.mol |
Chemical Properties
| Appearance | white to cream crystalline powder |
| Melting point | 114-117 °C(lit.) |
| Boiling point | 270.41°C (rough estimate) |
| density | 1.1601 (rough estimate) |
| refractive index | 1.5370 (estimate) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 4.53±0.17(Predicted) |
| color | White to cream |
| BRN | 639757 |
| InChI | InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) |
| InChIKey | KMQLIDDEQAJAGJ-UHFFFAOYSA-N |
| SMILES | C1C=C(C(=O)CCC(=O)O)C=CC=1 |
| CAS DataBase Reference | 2051-95-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenebutanoic acid, .gamma.-oxo- (2051-95-8) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29183000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |