Caftaric acid

About This Item

Molecular Formula	C₁₃H₁₂O₉
CAS Number	67879-58-7

FC-0025517

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Properties

Chemical Identifiers

IUPAC Name	(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
SMILES	C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
InChI Key	SWGKAHCIOQPKFW-JTNORFRNSA-N
InChI	InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1

Physical Properties

Boiling Point	618.2 °C at 760 mmHg
Melting Point	125 °C
Flash Point	236.3±25.0 °C
Density	1.7±0.1 g/cm3

Safety Information

Flash Point

236.3±25.0 °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.