552-66-9

Name Daidzin
CAS 552-66-9
EINECS(EC#) 611-245-3
Molecular Formula C21H20O9
MDL Number MFCD00017466
Molecular Weight 416.38
MOL File 552-66-9.mol

Chemical Properties

Appearance White Powder
Melting point  234-236°C
alpha  -24 º (C=0.1g/100ml,dimethylsulfoxide)
Boiling point  727.6±60.0 °C(Predicted)
density  1.572±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly, Sonicated), Methanol (Slightly, Heated)
form  neat
pka 9.65±0.30(Predicted)
color  White to Off-White
Usage A derivative of Daidzein. Inhibitor
λmax 297nm(lit.)
Detection Methods HPLC,NMR
BRN  59741
Major Application food and beverages
InChI 1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey KYQZWONCHDNPDP-LKLLPNDVNA-N
SMILES O=C1C(C2C=CC(O)=CC=2)=COC2=CC(O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)=CC=C12 |&1:16,17,18,20,22,r|
LogP 0.369 (est)
CAS DataBase Reference 552-66-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280-P271
Safety Statements 
WGK Germany  3
RTECS  DJ3094000
F  10
HS Code  29389090
Storage Class 11 - Combustible Solids
Toxicity
mouse,LD50,intraperitoneal,> 2gm/kg (2000mg/kg),Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.

Hazard Information

Spectrum Detail

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