5-(4-Methylphenyl)-5-oxopentanenitrile CAS 88636-41-3

Purity 97%+In StockPharmaceutical Standards
CAS No.88636-41-3
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(4-Methylphenyl)-5-oxopentanenitrile CAS 88636-41-3 chemical structure

Description

The occurrence of 5-(4-Methylphenyl)-5-oxopentanenitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-(4-Methylphenyl)-5-oxopentanenitrile (CAS 88636-41-3), molecular formula C12H13NO and molecular weight 187.24 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(4-Methylphenyl)-5-oxopentanenitrile (C12H13NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 187.24 g/mol, it falls into the medium-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.

As a certified reference material (CRM), 5-(4-Methylphenyl)-5-oxopentanenitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1982
Nitrogen Atoms1

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