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CORTEXOLONE Structure

CORTEXOLONE

Chemical Properties

Melting point 205-208 °C
Boiling point 401.19°C (rough estimate)
Density  1.22±0.1 g/cm3 (20 ºC 760 Torr)
refractive index  120 ° (C=1, Dioxane)
Flash point 9℃
storage temp.  Sealed in dry,Room Temperature
solubility  Dioxane (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated)
pka 12+-.0.60(Predicted)
form  Solid
color  White to Off-White
Water Solubility  44.08mg/L(37 ºC)
Merck  14,2932
Major Application diagnostic assay manufacturing
hematology
histology
InChI InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKey WHBHBVVOGNECLV-OBQKJFGGSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](O)(C(=O)CO)CC3)CC2
CAS DataBase Reference 152-58-9(CAS DataBase Reference)

Safety Information

Hazard Codes  F,T
Risk Statements  11-23/24/25-39/23/24/25
Safety Statements  24/25-22-45-36/37-16-7
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  3
RTECS  TU5011500
HS Code  2937.23.5050
Storage Class 11 - Combustible Solids
Toxicity mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04684,

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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