[6,6]-Phenyl-C61-butyric acid dodecyl ester CAS 571177-69-0

Purity 97%+In StockPharmaceutical Standards
CAS No.571177-69-0
Molecular FormulaC63H46O2
Molecular Weight835.04 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

[6,6]-Phenyl-C61-butyric acid dodecyl ester CAS 571177-69-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 835.04 g/mol gives [6,6]-Phenyl-C61-butyric acid dodecyl ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies [6,6]-Phenyl-C61-butyric acid dodecyl ester (CAS 571177-69-0), a certified reference material (molecular formula C63H46O2, MW 835.04 g/mol) for analytical method development and quality control.

Structurally, [6,6]-Phenyl-C61-butyric acid dodecyl ester (C63H46O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 41.0, corresponding to approximately 41 ring(s) or double-bond equivalent(s). With a molecular weight of 835.04 g/mol, it falls into the high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

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 FormulaC63H46O2
Molecular Weight835.04 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)41.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984

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