Cyclopentanone-d8 CAS No.: 4477-17-2

Cyclopentanone-d₈ | CAS No.: 4477-17-2

Chemical Name: Cyclopentanone-d₈
Molecular Formula: C₅D₈O
Molecular Weight: 92.17 g/mol
Isotopic Labeling: Fully deuterated (eight deuterium atoms)
Chemical Class: Deuterated cyclic ketone
Purity: ≥ 98% (isotopic and chemical purity confirmed by NMR and GC-MS)

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Product Overview

Cyclopentanone-d₈ is a fully deuterated analog of cyclopentanone, in which all eight hydrogen atoms in the cyclopentane ring are replaced with deuterium. This isotopic substitution provides a distinct mass increase of +8 Da, making it a valuable stable isotope-labeled compound for a wide range of analytical, spectroscopic, and mechanistic studies.

At ResolveMass Laboratories Inc., we supply high-purity Cyclopentanone-d₈ for applications in NMR spectroscopy, mass spectrometry (MS), reaction mechanism studies, and deuterium tracer experiments. Its high isotopic enrichment and excellent chemical stability make it a preferred choice for research and development across academic, pharmaceutical, and industrial laboratories.

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Chemical and Structural Description

Cyclopentanone (C₅H₈O) is a cyclic ketone with a five-membered ring structure featuring a carbonyl functional group. When fully deuterated, as in Cyclopentanone-d₈, all ring hydrogens are replaced with deuterium atoms (²H or D), without altering the fundamental molecular geometry or reactivity.

The result is a compound that exhibits nearly identical physicochemical properties to its non-deuterated counterpart, except for subtle differences due to the isotope effect—primarily in vibrational frequencies and reaction kinetics. These characteristics make Cyclopentanone-d₈ a highly useful isotopic standard and solvent reference material for NMR and MS-based studies.

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Applications

1. Internal Standard in Mass Spectrometry

Cyclopentanone-d₈ serves as a mass spectrometric internal standard for accurate quantification of volatile and semi-volatile organic compounds (VOCs) and ketones in environmental, industrial, and biological samples.
Because of its isotopic distinction, it is ideal for:

• GC-MS calibration and quantitation

• Internal standard for volatile organic compound analysis

• Reference standard in headspace gas chromatography (HS-GC)

• Analytical method validation under EPA and ISO protocols

Its chemical and isotopic stability allows it to remain unaffected during extraction and chromatographic separation, ensuring consistent recovery and reproducible calibration curves.

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2. Deuterium Tracer in Reaction Mechanism Studies

Cyclopentanone-d₈ is frequently used in isotope effect and reaction mechanism investigations to study hydrogen transfer processes, catalytic transformations, and molecular rearrangements.
Examples include:

• Kinetic isotope effect (KIE) studies in catalytic hydrogenation and oxidation

• Tracing hydrogen–deuterium exchange reactions in organic synthesis

• Investigating enolate formation and tautomeric equilibria

• Evaluating deuterium retention in photochemical and thermal transformations

Because deuterium substitution slows certain reaction pathways, it enables chemists to differentiate between mechanistic steps and identify rate-determining processes in catalytic or enzymatic reactions.

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3. NMR Spectroscopy Solvent or Reference

Deuterated cyclopentanone is also utilized as a reference solvent or matrix material in NMR spectroscopy. The absence of proton resonance signals simplifies spectral interpretation and improves signal-to-noise ratio for ¹H and ¹³C NMR experiments.
It is particularly valuable in:

• Solvent suppression experiments

• Isotope effect studies on chemical shift and coupling constants

• Calibration of deuterium response factors

Cyclopentanone-d₈’s unique structure and deuterium distribution make it suitable for both academic research and instrument calibration in high-resolution NMR systems.

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4. Synthetic Intermediate and Labeling Source

In advanced organic synthesis, Cyclopentanone-d₈ acts as a deuterium source for the preparation of partially deuterated derivatives and isotopically labeled compounds.
It is used in:

• Synthesis of deuterated alcohols, ketones, and hydrocarbons

• Formation of labeled building blocks for drug metabolism studies

• Stable isotope labeling in metabolic and pharmacokinetic research

Its fully deuterated backbone ensures uniform isotope incorporation and reproducible product labeling, supporting isotope-based metabolite identification and drug clearance studies.

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Analytical Characterization

Each batch of Cyclopentanone-d₈ supplied by ResolveMass Laboratories undergoes comprehensive analytical verification to ensure isotopic and chemical purity.
Characterization methods include:

• ¹H and ²H NMR Spectroscopy – to confirm complete deuteration and structural integrity

• GC-MS Analysis – for molecular identity, isotopic distribution, and impurity profiling

• FTIR Spectroscopy – to confirm characteristic carbonyl stretching frequencies

• Karl Fischer Titration – for moisture content determination

A detailed Certificate of Analysis (CoA) is provided with each lot, including isotopic enrichment data, GC-MS spectra, and chromatographic purity.

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Advantages of Cyclopentanone-d₈

• Fully deuterated (D₈) structure for clear isotopic separation

• High chemical and isotopic purity (>98%)

• Ideal for GC-MS, LC-MS, and NMR reference applications

• Stable and reproducible internal standard for volatile compound analysis

• Valuable in isotope effect and reaction mechanism studies

• Excellent shelf stability under standard storage conditions

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Safety and Handling

Cyclopentanone-d₈ should be handled in a well-ventilated environment using standard laboratory safety precautions. Avoid inhalation and contact with skin or eyes. Store tightly closed in a cool, dry place, away from heat or open flame. Dispose of waste materials in accordance with local environmental regulations.

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About ResolveMass Laboratories Inc.

ResolveMass Laboratories Inc. is a Canadian Contract Research Organization (CRO) specializing in stable isotope-labeled standards, impurity synthesis, and advanced analytical testing. We deliver high-quality deuterated compounds designed for pharmaceutical, environmental, and chemical research applications.

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