4-Hydroxyestradiol
- Product Name4-Hydroxyestradiol
- CAS5976-61-4
- MFC18H24O3
- MW288.38
- EINECS
- MOL File5976-61-4.mol
Chemical Properties
| Melting point | >210°C (dec.) |
| Boiling point | 370.61°C (rough estimate) |
| Density | 1.1285 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| storage temp. | −20°C |
| solubility | Ethanol (Slightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly |
| pka | 10.07±0.60(Predicted) |
| form | Solid |
| color | Light Yellow to Light Beige |
| Stability | Hygroscopic |
| InChI | 1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 |
| InChIKey | QOZFCKXEVSGWGS-ZHIYBZGJSA-N |
| SMILES | [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4c(O)c(O)ccc24 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 40 |
| Safety Statements | 22-36 |
| WGK Germany | 3 |
| RTECS | KG7676000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Carc. 2 |
