Isochlorogenic acid C

About This Item

Molecular Formula	C₂₅H₂₄O₁₂
CAS Number	57378-72-0

FC-0369887

Request a Quote Bulk Order Inquiry

Technical Service

Need help? Our experienced chemists are ready to assist you.

Let Us Assist →

Properties

Chemical Identifiers

IUPAC Name	(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
SMILES	C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
InChI Key	UFCLZKMFXSILNL-PSEXTPKNSA-N
InChI	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

Physical Properties

Boiling Point	820.8±65.0 °C at 760 mmHg
Melting Point	234 - 238 °C
Flash Point	278.5±27.8 °C
Density	1.6±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

278.5±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.