Cyclohexanone-d10 | CAS 51209-49-5

OVERVIEW
Cyclohexanone-d₁₀ is the fully deuterated analog of cyclohexanone, an important alicyclic ketone widely used in chemical synthesis, polymer production, and analytical applications. In this isotopologue, all ten hydrogen atoms of the cyclohexane ring are replaced with deuterium atoms, resulting in a +10 Da increase in molecular weight while maintaining identical chemical structure and reactivity to the non-deuterated form.

Because of its high isotopic purity and chemical stability, cyclohexanone-d₁₀ is a valuable compound for use in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and kinetic isotope effect (KIE) studies. It serves as a deuterium-labeled internal standard, solvent, or reactant for tracing reaction mechanisms and verifying analytical accuracy in both research and industrial laboratories.

CHEMICAL INFORMATION

• Name: Cyclohexanone-d₁₀

• Molecular Formula: C₆D₁₀O

• Molecular Weight: 108.21 g/mol

• CAS Number: 51209-49-5

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated cyclic ketone; stable isotope-labeled compound

• Stability: Stable under normal laboratory conditions; may react with strong oxidizing agents or bases

APPLICATIONS  of  Cyclohexanone-d10 | CAS 51209-49-5

• Analytical Standard for Mass Spectrometry (MS):
  Cyclohexanone-d₁₀ is frequently used as an internal standard in gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS) analyses. Its isotopic shift (+10 Da) ensures accurate quantitation and correction of matrix or instrumental variations.

• NMR Spectroscopy:
  Serves as an ideal deuterated compound in ¹H and ¹³C NMR studies, enabling suppression of proton background signals and improving spectral resolution. It can also be employed to calibrate deuterium exchange and chemical shift referencing experiments.

• Kinetic Isotope Effect (KIE) Studies:
  Due to its complete deuteration, cyclohexanone-d₁₀ is used to investigate hydrogen–deuterium isotope effects in chemical reactions, helping researchers understand bond cleavage, reaction pathways, and transition state structures.

• Synthetic Intermediate:
  Used as a labeled starting material in the synthesis of deuterated derivatives of caprolactam, adipic acid, and nylon precursors. It provides a convenient deuterium source for tracking transformation processes in organic and industrial chemistry.

• Tracer and Mechanistic Studies:
  The compound serves as a non-radioactive tracer to explore oxidation, reduction, and rearrangement reactions involving cyclic ketones, enabling detailed mechanistic insights through isotope distribution analysis.

ADVANTAGES  of  Cyclohexanone-d10 | CAS 51209-49-5

• Fully deuterated (10D) molecule with high isotopic enrichment

• Chemically identical to cyclohexanone, ensuring consistent reaction behavior

• Excellent stability and purity for reproducible analytical results

• Non-radioactive and environmentally safe isotopic label

• Widely applicable across analytical, synthetic, and kinetic research fields

HANDLING

• Hazards: Flammable liquid and vapor; may cause irritation to eyes, skin, and respiratory tract; inhalation of vapors may cause dizziness or discomfort.

• Precautions: Use only in well-ventilated areas or fume hoods. Avoid direct contact and ignition sources. Wear gloves, goggles, and appropriate protective clothing.

• Storage: Store tightly sealed in a cool, dry, and ventilated area away from heat, light, and oxidizers.

• Spill and Disposal: In case of spills, absorb with inert material (e.g., vermiculite) and dispose of waste according to local chemical safety regulations.

Safety Note: Although not acutely toxic, cyclohexanone-d₁₀ should be handled with standard laboratory precautions to minimize exposure.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, IR spectroscopy, and GC-MS

• Appearance: Clear, colorless liquid

• COA Availability: Supplied with batch-specific Certificate of Analysis verifying isotopic and chemical identity

SUMMARY
Cyclohexanone-d₁₀ (CAS 51209-49-5) is a high-purity, fully deuterated cyclic ketone used in analytical chemistry, isotopic research, and synthetic applications. Its chemical stability, complete deuteration, and compatibility with advanced spectroscopic and chromatographic techniques make it an essential reagent for accurate isotope tracing, reaction kinetics analysis, and mechanistic studies. Reliable, non-radioactive, and versatile, cyclohexanone-d₁₀ is a preferred choice for laboratories requiring precision and consistency in isotope-labeled compound research.