18339-16-7

Name 5ALPHA-ANDROST-16-EN-3-ONE
CAS 18339-16-7
EINECS(EC#) 242-220-1
Molecular Formula C19H28O
MDL Number MFCD00010479
Molecular Weight 272.43
MOL File 18339-16-7.mol
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Chemical Properties

Melting point  140-145 °C(lit.)
Boiling point  371.6±42.0 °C(Predicted)
density  1.032±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly, Heated)
form  Solid
color  White to Off-White
biological source synthetic (organic)
Henry's Law Constant 3.4×10-2 mol/(m3Pa) at 25℃, Amoore and Buttery (1978)
InChI InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/s3
InChIKey HFVMLYAGWXSTQI-QYXZOKGRSA-N
SMILES [C@]12([H])CC[C@]3(C)C=CC[C@@]3([H])[C@]1([H])CC[C@@]1([H])CC(=O)CC[C@]21C |&1:0,4,9,11,15,22,r|
LogP 5.568 (est)
CAS DataBase Reference 18339-16-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
Signal word  Danger
Hazard statements  H312-H302-H361-H332-H351
Precautionary statements  P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
WGK Germany  -
Storage Class 11 - Combustible Solids

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