39931-87-8

Name (5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
CAS 39931-87-8
EINECS(EC#) 821-898-8
Molecular Formula C20H26O4
MDL Number MFCD22566734
Molecular Weight 330.42
MOL File 39931-87-8.mol
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Chemical Properties

Melting point  135-139°C
Boiling point  499.1±45.0 °C(Predicted)
density  1.29±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform, Dichloromethane, Ethyl Acetate
form  Solid
color  Pale Yellow
PH 9.01 at 24.5℃ and 1000g/L
InChI InChI=1/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14+,17-,18-,20-/s3
InChIKey BAMMJXIMVWLRCU-KMXXOIMFNA-N
SMILES C1[C@@]23O[C@@]2(CC[C@H]2[C@H]4CCC(=O)[C@@]4(C)CC=C23)CC2(OCCO2)C1 |&1:1,3,6,7,12,r|
LogP 2.7 at 30℃ and pH5

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H332-H373-H317-H413-H319-H302
Precautionary statements  P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
REACH Registrations Active

Hazard Information

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