53-42-9
| Name | Etiocholanone |
| CAS | 53-42-9 |
| EINECS(EC#) | 200-835-2 |
| Molecular Formula | C19H30O |
| MDL Number | MFCD00064133 |
| Molecular Weight | 274.44 |
| MOL File | 53-42-9.mol |
Chemical Properties
| Melting point | 148～150℃ |
| Boiling point | 392.52°C (rough estimate) |
| density | 0.9731 (rough estimate) |
| refractive index | 1.5360 (estimate) |
| Fp | 2℃ |
| storage temp. | room temp |
| solubility | DMSO: 100 mg/mL (344.31 mM) |
| form | A solid |
| pka | 15.14±0.60(Predicted) |
| color | White to off-white |
| Water Solubility | 20.33mg/L(25 ºC) |
| BRN | 2217625 |
| InChI | 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1 |
| InChIKey | QGXBDMJGAMFCBF-BNSUEQOYSA-N |
| SMILES | C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O |
| CAS DataBase Reference | 53-42-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-(53-42-9) |
Safety Data
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | 3 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |