(1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)propenoyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid 1,3-Dicaffeoylquinic acid 2,3-Dimethylphenylacetic acid 30981-98-7 CAS 30981-98-7

Purity 97%+In StockPharmaceutical Standards
CAS No.30981-98-7
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)propenoyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid
1,3-Dicaffeoylquinic acid
2,3-Dimethylphenylacetic acid
30981-98-7 CAS 30981-98-7 chemical structure

Description

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

(1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)propenoyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid 1,3-Dicaffeoylquinic acid 2,3-Dimethylphenylacetic acid 30981-98-7 (CAS 30981-98-7), molecular formula C10H12O2 and molecular weight 164.20 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of (1R,3R,4S,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)propenoyl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid 1,3-Dicaffeoylquinic acid 2,3-Dimethylphenylacetic acid 30981-98-7 (C10H12O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1965

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