Synonym: 3-Caffeoylquinic acid (CAS); 5-Caffeoylquinic acid (IUPAC); 1,4,5-Trihydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); 3-(3,4-Dihydroxycinnamoyl)quinic acid
CAS Number: 327-97-9
Empirical Formula (Hill Notation): C16H18O9
Molecular Weight: 354.31
MDL Number: MFCD00003862
Linear Formula: C16H18O9
Product Type: Chemical
assay |
≥95.0% (HPLC) |
form |
solid |
grade |
primary reference standard |
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 |
manufacturer/tradename |
PhytoLab |
mp |
210 °C (dec.) (lit.) |
product line |
phyproof® Reference Substance |
SMILES string |
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |
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 |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Purity |
≥95.0% (HPLC) |
mp |
210 °C (dec.) (lit.) |
UNSPSC |
41116107 |