3-Pentanone-d10 | CAS 54927-77-4

OVERVIEW
3-Pentanone-d₁₀ is a fully deuterated analog of 3-pentanone, a simple aliphatic ketone commonly used as a solvent and organic intermediate. In this compound, all ten hydrogen atoms of the parent molecule are replaced by deuterium, making it an isotopically labeled version with a molecular weight increased by 10 Da compared to its non-deuterated counterpart. This deuterium substitution does not alter its chemical reactivity but provides unique advantages for analytical and spectroscopic studies.

As a stable isotope-labeled compound, 3-pentanone-d₁₀ is highly valuable in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and tracer studies. Its high isotopic enrichment and chemical stability make it an essential reagent in isotopic labeling, internal standardization, and kinetic isotope effect research.

CHEMICAL INFORMATION

• Name: 3-Pentanone-d₁₀

• Molecular Formula: C₅D₁₀O

• Molecular Weight: 92.19 g/mol

• CAS Number: 54927-77-4

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated ketone; stable isotope-labeled solvent

• Stability: Stable under normal laboratory conditions; sensitive to strong oxidizing agents

APPLICATIONS  of  3-Pentanone-d10 | CAS 54927-77-4

• Analytical Standard in Mass Spectrometry (MS):
  3-Pentanone-d₁₀ serves as a deuterated internal standard for quantitative mass spectrometric analysis of 3-pentanone and related ketones. The +10 Da isotopic shift allows clear differentiation between labeled and unlabeled molecules, improving analytical precision and reproducibility.

• NMR Spectroscopy Solvent and Reference Material:
  Used in ¹H and ¹³C NMR studies for calibration, solvent suppression, and structural elucidation of organic molecules. The deuterium atoms minimize background proton signals, enhancing spectral clarity and baseline stability.

• Stable Isotope Tracer in Metabolic and Mechanistic Studies:
  Employed as a tracer in biochemical and environmental research to study metabolic oxidation pathways, solvent partitioning, and chemical transformation kinetics.

• Kinetic Isotope Effect (KIE) Studies:
  Utilized to investigate reaction mechanisms where hydrogen-deuterium substitution influences reaction rates, thereby providing insights into transition state structures and bond activation energies.

• Organic Synthesis Applications:
  Acts as a deuterated precursor in synthetic routes requiring the introduction of deuterium-labeled carbonyl compounds, especially in pharmaceutical and isotopic labeling chemistry.

ADVANTAGES  of  3-Pentanone-d10 | CAS 54927-77-4

• Fully deuterated (10D) structure ensures uniform isotopic labeling

• High chemical and isotopic purity suitable for quantitative analytical work

• Non-radioactive and safe to handle compared to radiolabeled analogs

• Excellent stability under standard laboratory conditions

• Compatible with a wide range of analytical and spectroscopic techniques

HANDLING

• Hazards: Flammable liquid and vapor; may cause eye and skin irritation; inhalation of vapors may cause respiratory discomfort.

• Precautions: Use in a fume hood with adequate ventilation. Avoid open flames, sparks, and heat sources. Wear appropriate gloves, protective eyewear, and lab coat.

• Storage: Store in tightly sealed containers away from heat, light, and oxidizers.

• Spill and Disposal: In the event of a spill, absorb with inert material and dispose of according to local chemical safety guidelines.

Safety Note: Although non-toxic under typical laboratory use, 3-pentanone-d₁₀ should be handled in accordance with standard chemical safety protocols.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Verification: Confirmed by ¹H NMR (absence of proton signals), ²H NMR, and GC-MS analysis

• Appearance: Clear, colorless liquid

• COA Availability: Supplied with batch-specific Certificate of Analysis ensuring isotopic and chemical quality

SUMMARY
3-Pentanone-d₁₀ (CAS 54927-77-4) is a high-purity, fully deuterated analog of 3-pentanone designed for use in advanced analytical, synthetic, and isotopic research. Its excellent isotopic enrichment, chemical stability, and compatibility with NMR and MS systems make it a preferred choice for isotope effect studies, internal standardization, and reaction mechanism investigations. As a versatile, non-radioactive reagent, 3-pentanone-d₁₀ provides reliable and reproducible performance across research and industrial applications in analytical chemistry and molecular science.