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Merck

00500590

Chlorogenic acid

primary reference standard

Synonym(s):

1,4,5-Trihydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate), 3-(3,4-Dihydroxycinnamoyl)quinic acid

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About This Item

Empirical Formula (Hill Notation):
C16H18O9
CAS Number:
Molecular Weight:
354.31
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
206-325-6
MDL number:
Technical Service
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grade

primary reference standard

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

HWI

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

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

General description

Produced and qualified by HWI pharma services GmbH.
Exact content by quantitative NMR can be found on the certificate.

Application

Reference standard in the analysis of herbal medicinal products

Other Notes

This compound is commonly found in plants of the genus: angelica arnica carum crataegus echinacea hedera humulus hypericum melissa pimpinella plantago salvia sambucus valeriana


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Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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