7380-40-7

Name Bergamotine
CAS 7380-40-7
Molecular Formula C21H22O4
MDL Number MFCD00017409
Molecular Weight 338.4
MOL File 7380-40-7.mol

Chemical Properties

Melting point  75-80 °C
Boiling point  503.7±50.0 °C(Predicted)
density  1.153±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
color  White to Pale Yellow
BRN  1353914
Major Application food and beverages
InChI 1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
SMILES C\C(C)=C\CC\C(C)=C\COc1c2C=CC(=O)Oc2cc3occc13
LogP 5.382 (est)

Safety Data

Safety Statements 
WGK Germany  3
F  10-23
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier