isochlorogenic acid B

Full Material List
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Identifiers

FEMA N/A
CAS 14534-61-3
EINECS N/A
Synonyms
  • cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-
  • cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-
  • 3,4- di-O-caffeoylquinic acid
  • 4,5- di-O-caffeoylquinic acid
  • 3,4- dicaffeoylquinic acid
  • (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4- dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
  • (1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4- dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid
  • (1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4- dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
  • quinic acid 3,4-di-O-caffeate
JECFA Food Flavoring N/A
JECFA Food Additive N/A
DG SANTE Food Flavourings N/A
DG SANTE Food Contact Materials N/A
FDA UNII
CoE Number N/A
XlogP3-AA N/A
Molecular Weight 516.45668
Molecular Formula C25 H24 O12

Organoleptic

Organoleptic Notes
  • Odor and/or flavor descriptions from others (if found).
Odor N/A
Flavor N/A

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Properties

Food Chemicals Codex Listed No
Appearance N/A
Assay 95.00 to 100.00
Specific Gravity N/A
Lbs/Gal (est) N/A
Refractive Index N/A
Melting Point N/A
Boiling Point 810.80 °C. @ 760.00 mm Hg (est)
Flash Point 527.00 °F. TCC ( 274.90 °C. ) (est)
Acid Value N/A
Vapor Pressure N/A
Vapor Density N/A
logP (o/w) 0.890 (est)
Soluble In
  • water, 720.5 mg/L @ 25 °C (est)
Occurrence
  • coffee
  • coffee
  • coffee arabica coffee bean
  • coffee bean
  • potato tuber