Merck
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PHL89175

Chlorogenic acid

phyproof® Reference Substance

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

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

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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

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

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Certificate of Origin

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