604-26-2
| Name | 17beta-hydroxy-1alpha-methylandrost-4-ene-3-one |
| CAS | 604-26-2 |
| EINECS(EC#) | 210-063-8 |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.45 |
| MOL File | 604-26-2.mol |
Chemical Properties
| Melting point | 190-191 °C |
| Boiling point | 438.9±45.0 °C(Predicted) |
| density | 1.10±0.1 g/cm3(Predicted) |
| vapor pressure | 0.001Pa at 25℃ |
| storage temp. | 2-8°C |
| form | neat |
| pka | 15.06±0.70(Predicted) |
| Water Solubility | 90mg/L at 25℃ |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | KROXBRXHRBCDNO-IFMMWYRXSA-N |
| SMILES | O[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@]4([C@H](CC(=O)C=C4CC3)C)C)CC2)CC1)C |
| LogP | 2.92 at 25℃ |
Safety Data
| Symbol(GHS) |   GHS08,GHS09 |
| Signal word | Warning |
| Hazard statements | H361fd-H411 |
| Precautionary statements | P201-P273-P280-P308+P313-P391-P501 |
| WGK Germany | WGK 3 |
| REACH Registrations | Inactive |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 2 Repr. 2 |