Androsta-1,4-diene-3,17-dione

Chemical Properties

Melting point	138-139 °C(lit.)
Boiling point	434.2±45.0 °C(Predicted)
Density	1.14±0.1 g/cm3(Predicted)
vapor pressure	0Pa at 20℃
storage temp.	Refrigerator
solubility	DMF: 50 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 30 mg/ml; Ethanol: 5 mg/ml
form	A crystalline solid
Water Solubility	430mg/L at 20℃
Major Application	pharmaceutical
InChI	1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey	LUJVUUWNAPIQQI-QAGGRKNESA-N
SMILES	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]4(C)C(=O)CC[C@@]24[H]
LogP	2.2 at 25℃
CAS DataBase Reference	897-06-3(CAS DataBase Reference)

Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	26-36
WGK Germany	3
RTECS	BV7988000
HS Code	29372900
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Aquatic Chronic 2 Carc. 2 Lact. Repr. 1B
DEA Controlled Substances	CSCN: 4000 CAS SCH: Ⅲ NARC: N