4-N-butyl-2-methylphenylisothiocyanate CAS 175205-37-5

Purity 97%+In StockPharmaceutical Standards
CAS No.175205-37-5
Molecular FormulaC12H15NS
Molecular Weight205.32 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-N-butyl-2-methylphenylisothiocyanate CAS 175205-37-5 chemical structure

Description

The occurrence of 4-N-butyl-2-methylphenylisothiocyanate is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-N-butyl-2-methylphenylisothiocyanate (CAS 175205-37-5), a certified reference material (molecular formula C12H15NS, MW 205.32 g/mol) for analytical method development and quality control.

Structurally, 4-N-butyl-2-methylphenylisothiocyanate (C12H15NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 205.32 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.

CATO manufactures 4-N-butyl-2-methylphenylisothiocyanate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H15NS
Molecular Weight205.32 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2007
Nitrogen Atoms1
Sulfur Atoms1

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