Ethisterone
- Product NameEthisterone
- CAS434-03-7
- MFC21H28O2
- MW312.45
- EINECS207-096-5
- MOL File434-03-7.mol
Chemical Properties
| Melting point | 263-269 °C (lit.) |
| alpha | D23 +23.8° (dioxane); D25 -32.0° (pyridine) |
| Boiling point | 392.36°C (rough estimate) |
| Density | 1.0697 (rough estimate) |
| refractive index | 33 ° (C=1, Pyridine) |
| storage temp. | room temp |
| solubility | Soluble to 0.05 mg/mL (0.16 mM) in DMSO |
| pka | 13.10±0.60(Predicted) |
| form | Solid |
| color | Light yellow to yellow |
| biological source | synthetic (organic) |
| Water Solubility | soluble in chloroform, DMSO (0.05 mg/ml), acetone (slightly ), ethanol (<1 mg/ml at 25°C), and water (<1 mg/ml at 25°C). |
| Merck | 14,3741 |
| BRN | 1889895 |
| InChI | 1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey | CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C |
| CAS DataBase Reference | 434-03-7 |
Safety Information
| Hazard Codes | Xn,T |
| Risk Statements | 40-48-61 |
| Safety Statements | 22-24/25-45-53 |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | TU5570250 |
| HS Code | 29372390 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Repr. 1A |
