4670-05-7

Name THEAFLAVIN
CAS 4670-05-7
Molecular Formula C29H24O9
MDL Number MFCD01744830
Molecular Weight 516.5
MOL File 4670-05-7.mol

Chemical Properties

Melting point  237-240 °C (decomp)(Solv: water (7732-18-5))
Boiling point  1079.6±65.0 °C(Predicted)
density  1.777±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  neat
pka 6.65±0.20(Predicted)
color  Red to Very Dark Red
Major Application food and beverages
InChIKey IPMYMEWFZKHGAX-ZKSIBHASSA-N
SMILES C12=C(O)C(O)=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=C1C=C([C@H]1OC3=CC(O)=CC(O)=C3C[C@H]1O)C=C(O)C2=O
LogP 1.165 (est)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Safety Statements 
WGK Germany  3
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier