Dimethylethanolamine-d10 (OH) | CAS 2567957-94-0

OVERVIEW
Dimethylethanolamine-d₁₀ (OH) is a fully deuterated analogue of dimethylethanolamine (DMEA), an important intermediate used in the synthesis of pharmaceuticals, surfactants, and other fine chemicals. In this isotopologue, all hydrogen atoms of the two methyl groups and the ethylene moiety are replaced with deuterium, resulting in a +10 Da molecular weight increase. Despite the isotopic substitution, the compound retains the same physicochemical and reactive properties as non-deuterated dimethylethanolamine, while offering distinct advantages for analytical, spectroscopic, and tracer-based applications.

Deuterated DMEA is particularly valuable in stable isotope-labelled research, nuclear magnetic resonance (NMR) studies, and mass spectrometry (MS) as an internal standard. It is also employed in kinetic isotope effect (KIE) investigations, reaction mechanism elucidations, and metabolic studies involving choline derivatives and related amines.

CHEMICAL INFORMATION

• Name: Dimethylethanolamine-d₁₀

• Molecular Formula: C₄D₁₀NO

• Molecular Weight: 99.20 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated alkanolamine; tertiary amine

• CAS Number: 2567957-94-0

• Stability: Stable under normal laboratory conditions; deuterium substitution enhances isotopic stability

APPLICATIONS  of  Dimethylethanolamine-d10 (OH) | CAS 2567957-94-0

• Mass Spectrometry (MS) Internal Standard:
  Dimethylethanolamine-d₁₀ serves as a high-precision internal standard in LC-MS and GC-MS for quantifying DMEA or related choline derivatives in biological and chemical samples. The +10 Da isotopic shift enables unambiguous distinction from the unlabeled compound, improving accuracy in isotope-dilution analyses.

• NMR Spectroscopy:
  Due to the absence of interfering proton resonances, Dimethylethanolamine-d₁₀ is ideal for use in NMR studies as a solvent reference or calibration compound. It is also valuable in studies involving hydrogen exchange, proton-deuterium substitution, and relaxation time measurements.

• Pharmaceutical and Biochemical Research:
  Used as a tracer molecule in biochemical studies involving ethanolamine and choline metabolism. Deuterated DMEA supports investigations into lipid biosynthesis, neurotransmitter pathways, and phospholipid precursor mechanisms.

• Stable Isotope Labelling Studies:
  Employed in metabolic flux analysis, reaction mechanism elucidation, and kinetic isotope effect (KIE) evaluations. The deuterium atoms act as non-radioactive tracers, providing a safe and reliable alternative to traditional isotopic labels.

• Calibration and Method Validation:
  Applied in analytical laboratories for method validation and instrument calibration involving volatile amine-containing compounds.

• Organic Synthesis Intermediate:
  Used as a deuterated precursor in the preparation of other isotopically labelled molecules, including deuterated quaternary ammonium salts and phospholipids.

ADVANTAGES  of  Dimethylethanolamine-d10 (OH) | CAS 2567957-94-0

• High isotopic enrichment (≥ 98 atom % D) ensures distinct analytical resolution.

• Chemically identical to native DMEA, maintaining equivalent reactivity and solubility.

• Excellent internal standard for LC-MS, GC-MS, and NMR analyses.

• Provides enhanced signal clarity and stability in spectroscopic applications.

• Non-radioactive and environmentally safe isotope label.

• Suitable for both biochemical and industrial research applications.

HANDLING
Dimethylethanolamine-d₁₀ is a low-toxicity material, but as with all amines, it should be handled with appropriate laboratory safety measures.

• Avoid inhalation of vapors or direct contact with skin and eyes.

• Use protective gloves, safety goggles, and lab coats.

• Handle in a fume hood to prevent inhalation of amine vapors.

• Store in sealed containers away from strong acids, oxidizing agents, and heat sources.

• In case of contact, rinse affected area with water and seek medical advice if irritation occurs.

QUALITY & SPECIFICATION
Each batch of Dimethylethanolamine-d₁₀ undergoes strict analytical quality control to confirm isotopic enrichment, chemical purity, and physical integrity. Characterization is performed using:

• ¹H NMR / ²H NMR: To verify deuteration sites and purity.

• Mass Spectrometry (HRMS): To confirm isotopic mass shift and molecular weight.

• Infrared (IR) Spectroscopy: To ensure structural identity.

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D
  A Certificate of Analysis (COA) accompanies each batch, confirming all analytical parameters and ensuring traceability.

SUMMARY
Dimethylethanolamine-d₁₀ (OH) is a high-purity, fully deuterated derivative of dimethylethanolamine designed for precision analytical and research applications. With excellent isotopic enrichment and chemical stability, it serves as an essential tool in LC-MS, GC-MS, NMR spectroscopy, and isotope tracing studies. Its chemical equivalence to native DMEA, combined with its unique isotopic mass shift, makes it an indispensable standard for accurate quantification, metabolic tracking, and reaction mechanism exploration in advanced chemical and biochemical research.