3131-23-5

Name 4-HYDROXYESTRONE
CAS 3131-23-5
Molecular Formula C18H22O3
MDL Number MFCD00079358
Molecular Weight 286.37
MOL File 3131-23-5.mol
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Chemical Properties

Appearance Pale Yellow Solid
Melting point  260-263°C
Boiling point  468.2±45.0 °C(Predicted)
density  1.241±0.06 g/cm3(Predicted)
Fp  93 °C
storage temp.  −20°C
solubility  DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
form  Solid
pka 10.06±0.40(Predicted)
color  Pale Yellow to Light Brown
InChI 1S/C18H22O3/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/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
InChIKey XQZVQQZZOVBNLU-QDTBLXIISA-N
SMILES [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc4c(O)c(O)ccc24

Safety Data

WGK Germany  3
RTECS  KG7749500
Storage Class 11 - Combustible Solids

Hazard Information

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