Bufalin

Melting point 242-243 ° C
Specific rotation D -20 °
Boiling point 556.6 ± 50.0 ° C (Predicted)
Density 1.226 ± 0.06 g/cm3 (Predicted)
Storage conditions 2-8 ° C
Solubility DMSO: 36.0 (Max Conc. mg/mL); 93.14(Max Conc. mM)
DMF:25.0(Max Conc. mg/mL); 64.68(Max Conc. mM)
Ethanol:27.5(Max Conc. mg/mL); 71.15(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL); 0.78(Max Conc. mM)
Acidity coefficient (pKa) 15.01 ± 0.70 (Predicted)
Form White to Off white Solid
Color White to Off white
Mainly used in food and beverages
InChIKeyQEEBRPGZBVVINN-ONGIWDLKSA-N
SMILESO[C@]12CC[C@H](C3=COC(C=C3)=O)[C@]1(CC[C@]1([H])[C@]3(CC[C@@H](C[C@@]3([H])CC[C@@]21[H])O)C)C
Safety Information
Hazard symbol (GHS) Skull and Crossbones (GHS06)
GHS06
Warning word Danger
Hazard Description H300
Preventive instructions P301+P310+P330
Dangerous goods symbol T+
Hazard category code 28
Safety instructions 28-36/37-45
Dangerous goods transport number UN 3462 6.1/PG 2
WGK Germany3
RTECS number EI2962500
Hazard level 6.1 (a)
Packaging Category II
Customs code 29322090
Storage Category 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard category Acute Tox. 2 Oral
Limited Quantities0.5 Kg (solid)
Excepted QuantitiesMax Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)