Description

Cyclohexanone-2,2,6,6-D4 is a deuterated isotopologue of cyclohexanone, where four hydrogen atoms at the 2 and 6 positions are replaced with deuterium. This high-purity, isotopically labeled compound is essential for advanced analytical and research applications where precise molecular tracking and minimal background interference are required. It is primarily utilized by researchers and quality control laboratories in the pharmaceutical, agrochemical, and material science industries for applications such as NMR spectroscopy, mass spectrometry, and metabolic studies.

Application

• NMR Spectroscopy: Serves as a crucial internal standard or solvent for nuclear magnetic resonance studies, providing a deuterium lock signal and enabling precise chemical shift referencing.
• Mass Spectrometry: Used as a stable isotope-labeled internal standard for the accurate quantification of cyclohexanone or related compounds in complex matrices via GC-MS or LC-MS.
• Metabolic Pathway Tracing: Acts as a tracer in biochemical and pharmacological research to study the metabolism, degradation, and environmental fate of ketone compounds.
• Polymer & Material Science: Employed in the synthesis and analysis of deuterated polymers and advanced materials, where specific hydrogen-deuterium substitution is required to alter physical properties or enable specialized spectroscopic analysis.
• Pharmaceutical Development: Facilitates drug metabolism and pharmacokinetics (DMPK) studies by providing a labeled analog of cyclohexanone for use in assay development and validation.
• Chemical Reaction Mechanism Studies: Used as a probe in mechanistic organic chemistry to investigate reaction pathways, kinetic isotope effects, and catalytic processes.

Basic Information

Product Name	Cyclohexanone-2,2,6,6-D4
CAS No.	1006-03-7
Molecular Formula	C6D4H4O
Molecular Weight	104.15 g/mol
Synonyms	Cyclohexanone-d4; Perdeuterocyclohexanone (partial); [2,2,6,6-2H4]Cyclohexanone; Cyclohexanone-2,2,6,6-tetradeutero; Deuterated Cyclohexanone; Cyclohexanone (2,2,6,6-d4); 2,2,6,6-Tetradeuterocyclohexanone; Ketocyclohexane-d4
EINECS	Contact for details

Quality Control

Our Cyclohexanone-2,2,6,6-D4 is manufactured under strict quality systems to ensure high isotopic and chemical purity suitable for sensitive analytical applications. Each batch is characterized by NMR, GC-MS, and IR spectroscopy to confirm identity, isotopic enrichment (typically >98 atom % D), and chemical purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept upright and sealed when not in use to prevent evaporation and potential concentration changes.

Specification

Item	Specification
Appearance	Clear, colorless liquid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 99.0%
Isotopic Enrichment	≥ 98 atom % D
Water Content (KF)	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.