Description

Cyclohexanone-3,3,4,4,5,5-D6 CAS NO 54513-99-4 is a deuterated analog of cyclohexanone, where six hydrogen atoms are replaced with deuterium, a stable hydrogen isotope. This high isotopic purity is critical for applications requiring minimal spectral interference, such as NMR spectroscopy and mass spectrometry. It serves as an essential internal standard and labeling reagent for researchers and quality control laboratories in the pharmaceutical, agrochemical, and analytical chemistry sectors.

Application

• NMR Spectroscopy Internal Standard: Used as a chemical shift reference and quantitative standard due to its distinct deuterium signal.
• Mass Spectrometry (MS): Employed as a stable isotope-labeled internal standard for accurate quantification and metabolic pathway tracing.
• Pharmaceutical Research: Acts as a deuterated precursor or intermediate in the synthesis of labeled drug compounds for pharmacokinetic and metabolic studies.
• Analytical Chemistry: Serves as a high-purity standard for instrument calibration and method validation in various chromatographic and spectroscopic techniques.
• Mechanistic Studies: Utilized in reaction mechanism elucidation and kinetic isotope effect (KIE) experiments.
• Polymer Science: Can be used in the synthesis of deuterated polymers for neutron scattering studies to investigate polymer structure and dynamics.

Basic Information

Product Name	Cyclohexanone-3,3,4,4,5,5-D6
CAS No.	54513-99-4
Molecular Formula	C6D6O
Molecular Weight	106.16 g/mol
Synonyms	Cyclohexanone-d6; Perdeuterocyclohexanone; Cyclohexanone-3,3,4,4,5,5-hexadeutero; 1,2,3,4,5,6-Hexadeutero-cyclohexanone; Cyclohexanone (D6, 98%); Cyclohexanone-d6 (3,3,4,4,5,5-D6); Deuterated Cyclohexanone; Cyclohexanone-D6
EINECS	Contact for details

Quality Control

Every batch of Cyclohexanone-3,3,4,4,5,5-D6 is produced and analyzed under strict quality management protocols to ensure exceptional isotopic and chemical purity. Our products undergo rigorous quality testing, including NMR and GC-MS analysis, to ensure compliance with specifications for research and analytical applications. Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and solvent residues are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Due to its highly volatile nature, keep away from heat, sparks, and open flame. Keep container tightly sealed when not in use to prevent evaporation and potential contamination.

Specification

Item	Specification
Appearance	Clear Colorless Liquid
Identification (IR)	Conforms
Purity (GC)	≥ 98.0%
Isotopic Enrichment (D)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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