7,8-DIHYDROXY-6-METHOXYCOUMARIN Structure

7,8-DIHYDROXY-6-METHOXYCOUMARIN

Chemical Properties

Melting point 230-231 °C (lit.)
Boiling point 307.35°C (rough estimate)
Density  1.3844 (rough estimate)
refractive index  1.4717 (estimate)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  DMSO : 250 mg/mL (1200.94 mM; Need ultrasonic)
pka 7.22±0.20(Predicted)
form  Solid
color  White
Merck  13,4288
Stability Hygroscopic
Major Application food and beverages
InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChIKey HAVWRBANWNTOJX-UHFFFAOYSA-N
SMILES C1(=O)OC2=C(O)C(O)=C(OC)C=C2C=C1
LogP 0.590 (est)
CAS DataBase Reference 574-84-5(CAS DataBase Reference)
FDA UNII CD3GD44O3K
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36
WGK Germany  3
HS Code  29322090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
3 0

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