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2-Methoxyestrone Structure

2-Methoxyestrone

Chemical Properties

Melting point 187.0-189.5 °C
Boiling point 463.5±45.0 °C(Predicted)
Density  1.172±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform: slightly soluble
pka 10.27±0.40(Predicted)
form  Solid
color  White to off-white
biological source synthetic
optical activity [α]/D +182.5±7.5°, c = 0.5 in methanol
InChI 1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
InChIKey WHEUWNKSCXYKBU-QPWUGHHJSA-N
SMILES C[C@@]12[C@](CCC2=O)([H])[C@]3([H])CCC4=CC(O)=C(OC)C=C4[C@@]3([H])CC1

Safety Information

Hazard Codes  Xn,N
Risk Statements  40-50/53
Safety Statements  22-36-61-60
RIDADR  UN3077 9/PG 3
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Carc. 2

MSDS

Usage And Synthesis

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