
57-91-0
| Name | Estradiol |
| CAS | 57-91-0 |
| EINECS(EC#) | 200-023-8 |
| Molecular Formula | C18H24O2 |
| MDL Number | MFCD00064144 |
| Molecular Weight | 272.38 |
| MOL File | 57-91-0.mol |
Chemical Properties
| Melting point | 176-180 °C(lit.) |
| alpha | D20 +53 to +56° (c = 0.9 in dioxane) |
| Boiling point | 355.44°C (rough estimate) |
| density | 1.0708 (rough estimate) |
| refractive index | 1.4800 (estimate) |
| storage temp. | 0-6°C |
| solubility | ethanol: 50 mg/mL, clear, colorless |
| form | powder |
| pka | 10.27±0.60(Predicted) |
| color | white with slight yellow cast |
| biological source | synthetic (organic) |
| Water Solubility | 3.9mg/L(25 ºC) |
| Merck | 13,3738 |
| InChI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 |
| InChIKey | VOXZDWNPVJITMN-SFFUCWETSA-N |
| SMILES | [H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(O)ccc24 |
| CAS DataBase Reference | 57-91-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Estra-1,3,5(10)-triene-3,17alpha-diol(57-91-0) |
| EPA Substance Registry System | Estra-1,3,5(10)-triene-3,17-diol, (17.alpha.)- (57-91-0) |
Safety Data
| Hazard Codes | T,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | KG3750000 |
| F | 8-10 |
| HS Code | 29372390 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Chronic 1 Carc. 2 Lact. Muta. 2 Repr. 1A |