CAS 2613-86-7|4-Feruloylquinic acid

Introduction:Basic information about CAS 2613-86-7|4-Feruloylquinic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-Feruloylquinic acid
CAS Number2613-86-7Molecular Weight368.335
Density1.5±0.1 g/cm3Boiling Point656.1±55.0 °C at 760 mmHg
Molecular FormulaC17H20O9Melting Point/
MSDS/Flash Point238.9±25.0 °C

Names

Name4-O-Feruloylquinic acid
SynonymMore Synonyms

4-Feruloylquinic acid BiologicalActivity

Description4-Feruloylquinic acid may be a potential biomarker for food products[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Kamila P Cheiran, et al. Simultaneous identification of low-molecular weight phenolic and nitrogen compounds in craft beers by HPLC-ESI-MS/MS. Food Chem. 2019 Jul 15;286:113-122.

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point656.1±55.0 °C at 760 mmHg
Molecular FormulaC17H20O9
Molecular Weight368.335
Flash Point238.9±25.0 °C
Exact Mass368.110718
LogP-0.76
Vapour Pressure0.0±2.1 mmHg at 25°C
Index of Refraction1.646
InChIKeyVTMFDSJJVNQXLT-XQCMRRNBSA-N
SMILESCOc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)CC2O)ccc1O

Safety Information

Hazard CodesXi

Synonyms

Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1α,3α,4α,5β)-
4-O-feruloyl-D-quinic acid
(1S,3R,4S,5R)-1,3,5-Trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
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