1,4-Dicaffeoylquinic acid

About This Item

Molecular Formula	C₂₅H₂₄O₁₂
CAS Number	1182-34-9

FC-0171171

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Properties

Chemical Identifiers

IUPAC Name	(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
SMILES	C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
InChI Key	IYXQRCXQQWUFQV-RDJMKVHDSA-N
InChI	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1

Physical Properties

Boiling Point	819.9±65.0 °C at 760 mmHg
Melting Point	225-227ºC
Flash Point	278.1±27.8 °C
Density	1.6±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

278.1±27.8 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.