ChemicalBook Product Catalog Natural Products Steroids Etiocholanone

Etiocholanone

Chemical Properties

Melting point	148~150℃
Boiling point	392.52°C (rough estimate)
Density	0.9731 (rough estimate)
refractive index	1.5360 (estimate)
Flash point	2℃
storage temp.	room temp
solubility	DMSO: 100 mg/mL (344.31 mM)
form	A solid
pka	15.14±0.60(Predicted)
color	White to off-white
Water Solubility	20.33mg/L(25 ºC)
BRN	2217625
InChI	1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey	QGXBDMJGAMFCBF-BNSUEQOYSA-N
SMILES	C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O
CAS DataBase Reference	53-42-9(CAS DataBase Reference)
NIST Chemistry Reference	Androstan-17-one, 3-hydroxy-, (3«alpha»,5«beta»)-(53-42-9)

Hazard Codes	F,Xn
Risk Statements	11-20/21/22-36
Safety Statements	16-36/37
RIDADR	UN 1648 3 / PGII
WGK Germany	3
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2