1173097-51-2
| Name | Caffeic acid-13C9 |
| CAS | 1173097-51-2 |
| Molecular Formula | C9H8O4 |
| MDL Number | MFCD12546048 |
| Molecular Weight | 189.238 |
| MOL File | 1173097-51-2.mol |
Chemical Properties
| Melting point | 211-213°C (dec.) |
| form | powder |
| InChI | 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1 |
| InChIKey | QAIPRVGONGVQAS-RJKLISAOSA-N |
| SMILES | O[13C](=O)\[13CH]=[13CH]\[13c]1[13cH][13cH][13c](O)[13c](O)[13cH]1 |
Safety Data
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H361-H315-H351-H335-H319 |
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Carc. 2 |