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PINOCEMBRIN Structure

PINOCEMBRIN

Chemical Properties

Melting point 202 °C
Boiling point 511.1±50.0 °C(Predicted)
Density  1.386±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  Soluble in ethanol and methan
form  powder
pka 7.50±0.40(Predicted)
color  White
Major Application food and beverages
InChI 1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
InChIKey URFCJEUYXNAHFI-ZDUSSCGKSA-N
SMILES OC1=C(C(C[C@@H](C2=CC=CC=C2)O3)=O)C3=CC(O)=C1
LogP 3.225 (est)
EPA Substance Registry System 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2S)- (480-39-7)

Safety Information

Safety Statements  24/25
WGK Germany  WGK 2
HS Code  29329990
Storage Class 11 - Combustible Solids

Usage And Synthesis

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