5-(Chloromethyl)-1,2,3-tris(octyloxy)benzene CAS 162709-82-2

Purity 97%+In StockPharmaceutical Standards
CAS No.162709-82-2
Molecular FormulaC31H55ClO3
Molecular Weight511.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(Chloromethyl)-1,2,3-tris(octyloxy)benzene CAS 162709-82-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(Chloromethyl)-1,2,3-tris(octyloxy)benzene.

5-(Chloromethyl)-1,2,3-tris(octyloxy)benzene (CAS 162709-82-2), molecular formula C31H55ClO3 and molecular weight 511.22 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(Chloromethyl)-1,2,3-tris(octyloxy)benzene (C31H55ClO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 511.22 g/mol, it falls into the moderately-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 FormulaC31H55ClO3
Molecular Weight511.22 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentCl-containing

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Why CATO?