HELENALIN
- Product NameHELENALIN
- CAS6754-13-8
- CBNumberCB1492352
- MFC15H18O4
- MW262.3
- MDL NumberMFCD01674580
- MOL File6754-13-8.mol
Chemical Properties
| Melting point: | 167-168° |
| alpha | D25 -102.8° (c = 3.64 in 95% ethanol) |
| Boiling point: | 325.55°C (rough estimate) |
| Density | 1.0772 (rough estimate) |
| refractive index | 1.4300 (estimate) |
| storage temp. | -20° |
| solubility | Soluble in DMSO (up to 20 mg/ml) or in Ethanol (up to 10 mg/ml). |
| form | White to off-white solid. |
| pka | 13.29±0.60(Predicted) |
| color | White |
| Stability: | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month. |
| InChI | 1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1 |
| InChIKey | ZVLOPMNVFLSSAA-XEPQRQSNSA-N |
| SMILES | O1[C@H]2[C@H]([C@@H]([C@]3([C@H]([C@@H](C2)C)C=CC3=O)C)O)C(=C)C1=O |
| LogP | 0.870 |
Safety
| Symbol(GHS) |
 GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P264-P270-P301+P310-P405-P501 |
| RIDADR | 2811 |
| WGK Germany | WGK 3 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class |
6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
| Hazardous Substances Data | 6754-13-8(Hazardous Substances Data) |
| Toxicity | LD50 in mice, rats (mg/kg): 150, 125 orally (Witzel) |