Description

3,5-Dimethyl-D6-Cyclohexanone--D4 is a high-purity, multi-deuterated isotopologue of 3,5-dimethylcyclohexanone, a key intermediate in fine chemical synthesis. This compound is specifically valued for its role as a stable, non-radioactive isotopic tracer in advanced analytical and research applications, providing critical insights into reaction mechanisms and metabolic pathways. It is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors who require precise labeling for mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and pharmacokinetic studies.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in GC-MS and LC-MS analyses to ensure accuracy in pharmaceutical and environmental testing.
• NMR Spectroscopy Solvent & Tracer: Serves as a deuterated solvent or a probe molecule in NMR studies to elucidate molecular structure and dynamics without signal interference.
• Metabolic Pathway Research: Acts as a stable isotopic label in drug metabolism and pharmacokinetic (DMPK) studies to track the fate of molecules within biological systems.
• Organic Synthesis Intermediate: Employed in the synthesis of more complex deuterated compounds for use in material science and specialty chemical production.
• Pharmaceutical Impurity Profiling: Utilized in the development and validation of analytical methods to identify and quantify process-related impurities.
• Agrochemical Research: Applied in the study of environmental fate, degradation, and uptake of chemical agents in plants and soil.

Basic Information

Product Name	3,5-Dimethyl-D6-Cyclohexanone--D4
CAS No.	1219804-55-3
Molecular Formula	C8D10O
Molecular Weight	130.23 g/mol
Synonyms	Perdeuterated 3,5-Dimethylcyclohexanone; 3,5-Dimethylcyclohexanone-d10; (3,5-Dimethylcyclohexylidene-2,2,4,4,6,6-d6)methanone-d4; Cyclohexanone, 3,5-dimethyl-, D6-D4; Deuterated 3,5-Dimethylcyclohexanone; Isotopic Labeled 3,5-Dimethylcyclohexanone; Stable Isotope Labeled Ketone
EINECS	Contact for details

Quality Control

Every batch of 3,5-Dimethyl-D6-Cyclohexanone--D4 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 MS analysis, to ensure compliance with research-grade standards. Certificates of Analysis (COA) detailing isotopic enrichment (atom % D), chemical purity, and solvent residues are available upon request to support your regulatory and research documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at a controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and stored away from heat sources and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (Atom % D)	≥ 98.0% (by MS)
Water Content (KF)	≤ 0.5%

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