604-26-2

Name 17beta-hydroxy-1alpha-methylandrost-4-ene-3-one
CAS 604-26-2
EINECS(EC#) 210-063-8
Molecular Formula C20H30O2
Molecular Weight 302.45
MOL File 604-26-2.mol
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Chemical Properties

Melting point  190-191 °C
Boiling point  438.9±45.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
vapor pressure  0.001Pa at 25℃
storage temp.  2-8°C
form  neat
pka 15.06±0.70(Predicted)
Water Solubility  90mg/L at 25℃
Major Application pharmaceutical (small molecule)
InChI 1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey KROXBRXHRBCDNO-IFMMWYRXSA-N
SMILES O[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@]4([C@H](CC(=O)C=C4CC3)C)C)CC2)CC1)C
LogP 2.92 at 25℃

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Warning
Hazard statements  H361fd-H411
Precautionary statements  P201-P273-P280-P308+P313-P391-P501
WGK Germany  WGK 3
REACH Registrations Inactive
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Repr. 2

Hazard Information

Spectrum Detail

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