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Homovanillic acid Structure

Homovanillic acid

Chemical Properties

Melting point 142-145 °C(lit.)
Boiling point 235.56°C (rough estimate)
Density  1.1634 (rough estimate)
refractive index  1.4209 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO (Slightly), Methanol (Slightly, Heated)
form  Crystalline Powder
pka 4.39±0.10(Predicted)
color  White to beige
Water Solubility  soluble
Merck  14,4740
BRN  2213447
Stability Hygroscopic
Major Application pharmaceutical
InChI 1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey QRMZSPFSDQBLIX-UHFFFAOYSA-N
SMILES COc1cc(CC(O)=O)ccc1O
LogP 0.330
CAS DataBase Reference 306-08-1(CAS DataBase Reference)
NIST Chemistry Reference Benzeneacetic acid, 4-hydroxy-3-methoxy-(306-08-1)
EPA Substance Registry System Homovanillic acid (306-08-1)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
F  10-23
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29189900
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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