Benzylmalonic acid
- Product NameBenzylmalonic acid
- CAS616-75-1
- MFC10H10O4
- MW194.18
- EINECS210-491-5
- MOL File616-75-1.mol
Chemical Properties
| Melting point | 117-120 °C (lit.) |
| Boiling point | 290.62°C (rough estimate) |
| Density | 1.2534 (rough estimate) |
| refractive index | 1.5430 (estimate) |
| storage temp. | Refrigerator |
| solubility | Chloroform, DMSO, Ethyl Acetate, Methanol |
| form | Solid |
| pka | 3.18±0.10(Predicted) |
| color | Pale Yellow |
| BRN | 643530 |
| InChI | InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14) |
| InChIKey | JAEJSNFTJMYIEF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(CC1=CC=CC=C1)C(O)=O |
| CAS DataBase Reference | 616-75-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzylmalonic acid(616-75-1) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | OO0525000 |
| HS Code | 29173990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
