1255644-48-4
| Name | Elainic acid-1,2,3,7,8-13C5 |
| CAS | 1255644-48-4 |
| Molecular Formula | C18H34O2 |
| MDL Number | MFCD19443637 |
| Molecular Weight | 287.506 |
| MOL File | 1255644-48-4.mol |
Chemical Properties
| Melting point | 42-44°C (lit.) |
| Boiling point | 194-195°C/1.2mmHg (lit.) |
| density | 0.910 g/mL at 25 °C(lit.) |
| storage temp. | -20°C |
| solubility | Chloroform: soluble,DMF: >100mg/mL,DMSO: >100mg/mL,Ethanol: >100mg/mL,PBS (pH 7.2): <100ug/mL |
| form | solid |
| InChI | 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+/i11+1,12+1,16+1,17+1,18+1 |
| InChIKey | ZQPPMHVWECSIRJ-CLWZAQNKSA-N |
| SMILES | CCCCCCCC\C=C\[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 |
| Precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard Codes | Xi |
| Risk Statements | |
| WGK Germany | WGK 1 |
| Storage Class | 11 - Combustible Solids |