76-78-8

Name QUASSIN
CAS 76-78-8
EINECS(EC#) 200-985-9
Molecular Formula C22H28O6
MDL Number MFCD00016884
Molecular Weight 388.45
MOL File 76-78-8.mol
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Chemical Properties

Melting point  222°
alpha  D20 +34.5° (c = 5.09 in CHCl3)
Boiling point  586.3±50.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Optical Rotation +34.520 (c 5.09, CHCl3)
Cosmetics Ingredients Functions DENATURANT
InChIKey IOSXSVZRTUWBHC-LBTVDEKVSA-N
SMILES C1(=O)[C@]2([C@](C[C@@]3([C@@]4([C@@]2(C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O3)[H])C)[H])([H])[C@H](C)C=C1OC)C
LogP 2.220 (est)
EPA Substance Registry System Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy- (76-78-8)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H332-H319-H312
Precautionary statements  P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
TSCA  TSCA listed

Hazard Information

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