Description

4,4-Dimethyl-Cyclohexanone-2,2,6,6,-D4 is a deuterated analog of 4,4-dimethylcyclohexanone, where four hydrogen atoms are replaced with deuterium, a stable isotope of hydrogen. This deuteration is critical for applications requiring reduced interference from proton signals, making it an invaluable tool in spectroscopic studies and mechanistic research. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for use as a labeled intermediate, internal standard, or probe in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry.

Application

• NMR Spectroscopy Internal Standard: Serves as a precise chemical shift reference and quantitative standard in proton and carbon-13 NMR due to its deuterated structure.
• Mechanistic Reaction Studies: Used as a deuterium-labeled tracer to investigate reaction pathways, kinetics, and isotope effects in organic synthesis and catalysis.
• Pharmaceutical Intermediate: Acts as a building block in the synthesis of deuterated drug candidates, which can offer improved metabolic stability and pharmacokinetic profiles.
• Mass Spectrometry (MS): Employed as a stable isotope-labeled standard for accurate quantification and metabolite identification in LC-MS and GC-MS analyses.
• Polymer & Material Science: Utilized in the development of specialty polymers and advanced materials where deuterated components are needed for neutron scattering studies or to modify physical properties.
• Agrochemical Research: Functions as a labeled intermediate in the synthesis and environmental fate studies of novel pesticides and herbicides.

Basic Information

Product Name	4,4-Dimethyl-Cyclohexanone-2,2,6,6,-D4
CAS No.	41866-12-0
Molecular Formula	C8D4H8O
Molecular Weight	128.20 g/mol
Synonyms	4,4-Dimethylcyclohexanone-d4; Perdeuterated 4,4-Dimethylcyclohexanone; 2,2,6,6-Tetradeutero-4,4-dimethylcyclohexanone; 4,4-Dimethylcyclohexanone-2,2,6,6-d4; Cyclohexanone, 4,4-dimethyl-2,2,6,6-d4-; Deuterated 4,4-Dimethylcyclohexanone; D4-4,4-Dimethylcyclohexanone; (2,2,6,6-2H4)-4,4-Dimethylcyclohexanone
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced and handled under strict quality protocols to ensure isotopic purity and chemical integrity. Each batch is characterized using advanced analytical techniques including NMR, GC-MS, and HPLC to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and analytical results are provided and 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). This compound is hygroscopic (moisture-sensitive); ensure the container is sealed under an inert atmosphere such as nitrogen or argon after opening to prevent degradation from moisture absorption.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (NMR)	≥ 98.0 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.