434-03-7
| Name | Ethisterone |
| CAS | 434-03-7 |
| EINECS(EC#) | 207-096-5 |
| Molecular Formula | C21H28O2 |
| MDL Number | MFCD00003656 |
| Molecular Weight | 312.45 |
| MOL File | 434-03-7.mol |
Chemical Properties
| Appearance | Off-White Powder |
| 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. | -20°C Freezer |
| solubility | Soluble to 0.05 mg/mL (0.16 mM) in DMSO |
| form | neat |
| pka | 13.10±0.60(Predicted) |
| 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 Data
| Symbol(GHS) |   GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H360FD-H410 |
| Precautionary statements | P201-P202-P273-P280-P308+P313-P391 |
| Hazard Codes | Xn,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | TU5570250 |
| REACH Registrations | Active |
| 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 |