
508-77-0
| Name | CYMARIN |
| CAS | 508-77-0 |
| EINECS(EC#) | 208-087-9 |
| Molecular Formula | C30H44O9 |
| MDL Number | MFCD00003669 |
| Molecular Weight | 548.66 |
| MOL File | 508-77-0.mol |
Chemical Properties
| Melting point | 148°C |
| alpha | D20 +39.2° (methanol); D22 +39.0° (c = 1.7 in chloroform) |
| Boiling point | 540.83°C (rough estimate) |
| density | 1.1277 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | 2-8°C |
| form | Solid |
| pka | 13.55±0.70(Predicted) |
| color | White to off-white |
| BRN | 101370 |
| InChIKey | XQCGNURMLWFQJR-ZNDDOCHDSA-N |
| SMILES | CO[C@H]1C[C@@H](O[C@H](C)[C@H]1O)O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6 |
| LogP | 0.640 |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301+H331-H373 |
| Precautionary statements | P301+P310+P330-P304+P340+P311-P314 |
| Hazard Codes | T,T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3462 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | GZ5600000 |
| F | 8-10-23 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 3 Oral STOT RE 2 |
| Toxicity |

