Etiocholanone
- Product NameEtiocholanone
- CAS53-42-9
- CBNumberCB6457042
- MFC19H30O2
- MW290.44
- EINECS200-835-2
- MDL NumberMFCD00064133
- MOL File53-42-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 148~150℃ |
| Boiling point | 392.52°C (rough estimate) |
| Density | 0.9731 (rough estimate) |
| refractive index | 1.5360 (estimate) |
| Flash point | 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) |
| FDA UNII | 97CGB1M48I |
| NIST Chemistry Reference | Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-(53-42-9) |
Safety
| Symbol(GHS) |
  
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H351-H361fd-H410 | |||||||||
| Precautionary statements | P202-P264-P270-P273-P301+P312-P308+P313 | |||||||||
| Hazard Codes | F,Xn | |||||||||
| Risk Statements | 11-20/21/22-36 | |||||||||
| Safety Statements | 16-36/37 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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