Dihydrocaffeic acid
- Product NameDihydrocaffeic acid
- CAS1078-61-1
- MFC9H10O4
- MW182.17
- EINECS214-083-8
- MOL File1078-61-1.mol
Chemical Properties
| Melting point | 136-139 °C(lit.) |
| Boiling point | 418℃ |
| Density | 1.398 |
| Flash point | 220℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.75±0.10(Predicted) |
| color | Pale Beige to Pale Brown |
| Water Solubility | Slightly soluble in water. |
| BRN | 2213449 |
| InChI | InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) |
| InChIKey | DZAUWHJDUNRCTF-UHFFFAOYSA-N |
| SMILES | C1(CCC(O)=O)=CC=C(O)C(O)=C1 |
| LogP | 0.115 (est) |
| CAS DataBase Reference | 1078-61-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | MW5143500 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
