135558-85-9

Basic information

• Product Name: Quinic acid
• CAS NO: 135558-85-9
• Molecular Weight: 192.169
• Mol File: 135558-85-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Quinic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Quinic acid(135558-85-9)
• EPA Substance Registry System: Quinic acid(135558-85-9)

Safety Data

• Hazardous Substances Data: 135558-85-9(Hazardous Substances Data)

Upstream product

• 901129-88-2 methyl 3,5-di-O-(tert-butyldimethylsilyl)-4-O-methanesulfonylquinate 
• 35949-53-2 (-)-4,5-cyclohexylidenequinic acid lactone 
• 77-95-2 D-(-)-quinic acid 
• 130021-73-7 methyl 3,4-O-cyclohexylidenequinate 
• 193888-32-3 3,4-O-cyclohexylidene-5-oxoquinate 
• 191916-39-9 methyl (-)-quinate 
• 135711-62-5 methyl quinicate 
• 213250-58-9 (3R,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-1-hydroxy-4-oxocyclohexanecarboxylic acid methyl ester 
• 896-60-6 (+/-)-1,3t,4t-triacetoxy-5c-hydroxy-cyclohexane-r-carboxylic acid-lactone 
• 770-67-2 (+/-)-γ-Quinide 
• 32384-33-1 quinic acid 1,5-lactone triacetate 
• 25514-46-9 (1S,3S,4R,5R)-3-((3-(3,4-dihydroxyphenyl)propanoyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid 
• 7647-01-0 hydrogenchloride 
• 202650-88-2 3-caffeoylquinic acid 

Downstream Products

• 126-47-6 (-)-quinic acid ; salt with urea 
• 14833-58-0 (3R)-1,3r,4t,5t-tetramethoxy-cyclohexane-c-carboxylic acid methyl ester 
• 50459-25-1 (-)-methyl 4-epi-quinate 
• 14210-97-0 1,4-dibenzoyloxybenzene 
• 896-60-6 (+/-)-1,3t,4t-triacetoxy-5c-hydroxy-cyclohexane-r-carboxylic acid-lactone 
• 32469-24-2 (1R,3R,4R,5R)-(-)-quinic acid tetraacetate 
• 99-96-7 4-hydroxy-benzoic acid 
• 71-43-2 benzene 
• 106-51-4 p-benzoquinone 
• 99-50-3 3,4-Dihydroxybenzoic acid 
• 65-85-0 benzoic acid 
• 123-31-9 hydroquinone 
• 90-02-8 salicylaldehyde 
• 618-46-2 m-Chlorobenzoyl chloride 

Relevant articles and documents

Synthesis, Structure, and Tandem Mass Spectrometric Characterization of the Diastereomers of Quinic Acid

(-)-Quinic acid possess eight possible stereoisomers, which occur both naturally and as products of thermal food processing. In this contribution, we have selectively synthesized four isomers, namely, epi-quinic acid, muco-quinic acid, cis-quinic acid, and scyllo-quinic acid, to develop a tandem LC-MS method identifying all stereoisomeric quinic acids. Four derivatives have been unambiguously characterized by single-crystal X-ray crystallography. The missing diastereomers of quinic acid were obtained by nonselective isomerization of (-)-quinic acid using acetic acid/concentrated H2SO4 allowing chromatographic separation and assignment of all diastereomers of quinic acid. We report for the first time that a full set of stereoisomers are reliably distinguishable on the basis of their tandem mass spectrometric fragment spectra as well as their elution order. A rationale for characteristic fragmentation mechanisms is proposed. In this study, we also observed that muco-quinic acid, scyllo-quinic acid, and epi-quinic acid are present in hydrolyzed Guatemalan roasted coffee sample as possible products of roasting.