1362-42-1

Name ABSINTHIN
CAS 1362-42-1
Molecular Formula C30H40O6
MDL Number MFCD00272148
Molecular Weight 496.64
MOL File 1362-42-1.mol

Chemical Properties

Melting point  165-166℃ (dec.)
alpha  D20 +107.0° (c = 1.9 in CHCl3); D20 +103.5° (c = 1.0 in CHCl3)
Boiling point  700.6±60.0 °C(Predicted)
density  1.29±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  Amber Vial, -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 14.66±0.70(Predicted)
color  White to Off-White
Water Solubility  insoluble in water
Stability: Light Sensitive, Unstable in Acidic Condition
InChIKey PZHWYURJZAPXAN-ILOFNVQHSA-N
SMILES O1[C@@H]2[C@@]43[C@@H]([C@@H]([C@H]5[C@@H]4C(=C6[C@H]7OC(=O)[C@H]([C@@H]7CC[C@@]([C@@H]65)(O)C)C)C)C=C3C)[C@](CC[C@H]2[C@@H](C1=O)C)(O)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

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