PHL89175

Chlorogenic acid

phyproof^® Reference Substance

• Synonym(s): 3-Caffeoylquinic acid (CAS), 5-Caffeoylquinic acid (IUPAC), 1,4,5-Trihydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate), 3-(3,4-Dihydroxycinnamoyl)quinic acid
• Empirical Formula (Hill Notation): C₁₆H₁₈O₉
• CAS Number: 327-97-9
• Molecular Weight: 354.31
• MDL number: MFCD00003862

Properties

• grade: primary reference standard
• product line: phyproof^® Reference Substance
• Assay: ≥95.0% (HPLC)
• form: solid
• manufacturer/tradename: PhytoLab
• mp: 210 °C (dec.) (lit.)
• SMILES string: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
• InChI: 1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
• InChI key: CWVRJTMFETXNAD-JUHZACGLSA-N

Description

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

Safety Information

• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable