Chlorogenic acid. CAS NO.327-97-9

Product Name:    Chlorogenic acid
Synonyms:    (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid;CHLOROGENID ACID;CHLOROGENIC ACID(AHP);3-CAFFEOLYQUINICACID;3-[[3-(3,4-dihydroxyphenyl)-1-oxy-2-propenyl]oxy]-1,4,5-trihydroxy-1, [1S-(1 a , 3 β , 4 a , 5 a )];Chlorogenic Acid Hydrate;Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)- 1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha));Heriguard
CAS:    327-97-9
MF:    C16H18O9
MW:    354.31
Mol File:    327-97-9.mol

Chlorogenic acid Chemical Properties
Melting point     210 °C (dec.) (lit.)
alpha     -36 º (c=1, H2O)
Boiling point     407.55°C (rough estimate)
density     1.3594 (rough estimate)
refractive index     -37 ° (C=1, H2O)
storage temp.     2-8°C
solubility     Soluble in ethanol and acetone.
pka    3.91±0.50(Predicted)
form     Powder, Crystals, Needles and/or Chunks
color     White to almost white
Water Solubility     SOLUBLE IN HOT WATER
Merck     14,2142
InChIKey    CWVRJTMFETXNAD-JUHZACGLSA-N
CAS DataBase Reference    327-97-9(CAS DataBase Reference)
EPA Substance Registry System    Chlorogenic acid (327-97-9)
Safety Information
Hazard Codes     Xi
Risk Statements     68
Safety Statements     24/25
WGK Germany     3
RTECS     GU8480000
Hazard Note     Irritant
HS Code     29182900
Toxicity    LDLo intraperitoneal in rat: 4gm/kg