Chlorogenic acid | CAS No. 327-97-9

Chlorogenic acid

Basic Information

CAS Number

327-97-9

Molecular Formula

C16H18O9

Molecular Weight

354.31 g/mol

AD

Basic Physical Properties

Melting Point

210 °C (dec.)

Boiling Point

665°C at 760 mmHg

Flash Point

245.5°C

Solubility

Soluble in ethanol and acetone.

Refractive Index

-37 ° (C=1, H2O)

Specific Rotation

-36 º (c=1, H2O)

InChI

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1

InChIKey

CWVRJTMFETXNAD-JUHZACGLSA-N

LogP

-0.6459000000000001

Topological Polar Surface Area

164.75 Ų

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

534

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • Chlorogenic acid
  • 1,3,4,5-TETRAHYDROXY-CYCLOHEXANECARBOXYLIC ACID 3-[3,4-DIHYDROXYCINNAMATE]
  • 1s,3r,4r,5r)-3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-
  • trihydroxycyclohexanecarboxylic acid
  • 3-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY] 1,4,5-
  • 3-(3,4-DIHYDROXYCINNAMOYL)-D(-)-QUINIC ACID
  • 3-(3,4-DIHYDROXYCINNAMOYL)QUINIC ACID
  • 3-CAFFEOYLQUINIC ACID
  • 3-O-(3,4-DIHYDROXYCINNAMOYL)-D-QUINIC ACID
  • 3-O-CAFFEOYLQUINIC ACID
  • 3R-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXYL]-1S,4R,5R-TRIHYROXY-
  • CYCLOHEXANECARBOXYLIC ACID
  • 5-(3,4-DIHYDROXYCINNAMOYL)-D-(-)-QUINIC ACID
  • 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid
  • CAFFEOLYQUINIC ACID
  • CAFFEOYLQUINIC ACID
  • CAFFETANNIC ACID
  • CAFFEYLQUINIC ACID
  • CHLOROGENIC ACID, TRANS
  • HELIANTHIC ACID
  • ISOCHLOROGENIC ACID
  • NSC 407296
  • CHLOROGENIC ACID-ZEDOARY OIL
  • Chlorogenic Acid Hydrate
  • (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
  • CHLOROGENIC ACID(P)
  • CHLOROGENIC ACID(P) PrintBack
  • CHLOROGENIC ACID(RG)
  • Eucommia Leaves P.E
  • 3-(3,4-Dihydroxycinnamoyl)quinic Acid Hydrate
  • 3-Caffeoylquinate

MDL Number

MFCD00003862

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