15183-37-6

Name ESTETROL
CAS 15183-37-6
Molecular Formula C18H24O4
MDL Number MFCD00198996
Molecular Weight 304.38
MOL File 15183-37-6.mol

Chemical Properties

Melting point  233-236°C
Boiling point  491.9±45.0 °C(Predicted)
density  1.343±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka 10.22±0.70(Predicted)
color  white to beige
Optical Rotation [α]/D +125 to +135, c = 1 in ethanol
InChI InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/s3
InChIKey AJIPIJNNOJSSQC-VRHMYLLRNA-N
SMILES [C@@]12([H])CCC3C=C(O)C=CC=3[C@@]1([H])CC[C@]1(C)[C@H]([C@H](O)[C@H](O)[C@@]21[H])O |&1:0,11,15,17,18,20,22,r|

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Danger
Hazard statements  H362-H351-H360
Precautionary statements  P201-P202-P281-P308+P313-P405-P501-P201-P260-P263-P264-P270-P308+P313
REACH Registrations Active

Hazard Information

Spectrum Detail

Supplier