9,11-Didehydroestriol
- Product Name9,11-Didehydroestriol
- CAS246021-20-5
- MFC18H22O3
- MW286.37
- EINECS
- MOL File246021-20-5.mol
Chemical Properties
| Boiling point | 491.9±45.0 °C(Predicted) |
| Density | 1.31±0.1 g/cm3(Predicted) |
| storage temp. | -10 to -25°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 10.37±0.70(Predicted) |
| form | Solid |
| color | Off-White to Pale Yellow |
| Stability | Hygroscopic |
| Major Application | pharmaceutical |
| InChI | 1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5-6,8,14-17,19-21H,2,4,7,9H2,1H3/t14-,15+,16-,17+,18+/m1/s1 |
| InChIKey | ZWHFPHWLYUMTGY-WKULXVSPSA-N |
| SMILES | O[C@@H]1[C@@]2([C@H]([C@@H]3CCc4c(ccc(c4)O)C3=CC2)C[C@H]1O)C |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 62-63 |
| Safety Statements | 36/37 |
| WGK Germany | 3 |
| F | 10 |
| HS Code | 2937230000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |