FC-0895649
Estradiol benzoate
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About This Item
| Molecular Formula | C25H28O3 |
| CAS Number | 50-50-0 |
Properties
Chemical Identifiers
| IUPAC Name | [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate |
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChI Key | UYIFTLBWAOGQBI-BZDYCCQFSA-N |
| InChI | InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1 |
Physical Properties
| Boiling Point | 531.2±50.0 °C at 760 mmHg |
| Melting Point | 191-198 °C(lit.) |
| Flash Point | 212.0±22.9 °C |
| Density | 1.2±0.1 g/cm3 |
Safety Information
Hazard Class
Danger
Flash Point
212.0±22.9 °C
Control Level
20
Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.