3,5,5-Trimethylhexanoyl Chloride CAS 36727-29-4

Purity 97%+In StockPharmaceutical Standards
CAS No.36727-29-4
Molecular FormulaC9H17ClO
Molecular Weight176.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3,5,5-Trimethylhexanoyl Chloride CAS 36727-29-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 176.68 g/mol gives 3,5,5-Trimethylhexanoyl Chloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3,5,5-Trimethylhexanoyl Chloride (CAS 36727-29-4) is a high-purity analytical reference standard with the molecular formula C9H17ClO and a molecular weight of 176.68 g/mol.

Based on its molecular formula C9H17ClO, 3,5,5-Trimethylhexanoyl Chloride contains a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 176.68 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), 3,5,5-Trimethylhexanoyl Chloride 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 FormulaC9H17ClO
Molecular Weight176.68 g/mol
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityStable under recommended storage conditions
Degree of Unsaturation (DBE)1.0
CAS Registry Year (est.)1967
Halogen ContentCl-containing

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