6171-48-8

Name 4-methylestradiol
CAS 6171-48-8
Molecular Formula C19H26O2
Molecular Weight 286.41
MOL File 6171-48-8.mol
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Chemical Properties

Melting point  218-221 °C(Solv: dichloromethane (75-09-2))
Boiling point  453.3±45.0 °C(Predicted)
density  1.150±0.06 g/cm3(Predicted)
solubility  Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
form  Solid
pka 10?+-.0.60(Predicted)
color  White to Pale Yellow
InChI InChI=1/C19H26O2/c1-11-12-3-4-15-14(13(12)5-7-17(11)20)9-10-19(2)16(15)6-8-18(19)21/h5,7,14-16,18,20-21H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,18+,19+/s3
InChIKey CSHOYPMKTGTOLM-XFQUEABNNA-N
SMILES [C@@]12([H])CCC3C(C)=C(O)C=CC=3[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O |&1:0,12,16,18,21,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
Signal word  Danger
Hazard statements  H302-H315-H318-H335
Precautionary statements  P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Hazard Information

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