Deuterated n-Butyl acrylate-d3

OVERVIEW

Deuterated n-Butyl Acrylate-d3 is a stable-labelled acrylate monomer in which three hydrogen atoms—typically located on the terminal methyl group of the n-butyl chain—are substituted with deuterium (²H or D). This isotopic modification introduces mass differentiation without altering the core chemical reactivity of the acrylate. As a result, n-Butyl Acrylate-d3 is widely used in advanced analytical studies, polymer mechanistic investigations, isotopic tracing, mass spectrometry workflows, and reaction monitoring in kinetic experiments.

At ResolveMass Laboratories Inc., this compound is offered with high isotopic enrichment and exceptional purity, ensuring reproducibility across research, QC, and industrial development settings. Its molecular characteristics, combined with chemical compatibility across various polymerization systems, make it an essential reference reagent for academic, pharmaceutical, and material-science laboratories.

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CHEMICAL INFORMATION

• Chemical Name: n-Butyl Acrylate-d3
• Synonyms: Butyl acrylate-D3; n-Butyl 2-propenoate-d3; Acrylate-d3 ester
• Isotopic Labeling: Three deuterium atoms (≥98% D typically located at the terminal CH₃ group)
• Molecular Formula: C₇H₁₀D₃O₂
• Key Functional Group: Acrylate ester
• Structural Class: Deuterated acrylate monomer

The substitution of hydrogen with deuterium increases the molecular mass by +3 Da, enabling clear mass spectrometric differentiation from non-deuterated n-butyl acrylate and its related compounds. Importantly, the isotopic labeling does not significantly alter electronic distribution around the acrylate moiety, allowing similar polymerization behavior relative to the unlabeled monomer.

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KEY PROPERTIES AND TECHNICAL CHARACTERISTICS

Deuterated n-Butyl Acrylate-d3 retains all of the fundamental physical and reactive properties of the standard acrylate while offering superior performance in isotopic-sensitive analytical systems.

• High Isotopic Purity: Ensures consistent mass shifts during MS, NMR, and tracer studies.
• Excellent Volatility for GC/MS: Ideal for fragmentation pattern analysis and impurity profiling.
• Acrylate Reactivity Maintained: Compatible with free radical, controlled radical, and emulsion polymerization systems.
• Chemical Stability: Deuterated alkyl chains provide enhanced stability during analytical processing and sample storage.
• High MS Detectability: The +3 mass unit shift provides clean separation from native butyl acrylate peaks in HRMS and LC-MS workflows.

These enhanced isotopic signatures help researchers quantify reaction intermediates, monitor monomer conversion, and study polymer degradation behavior with exceptional clarity.

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APPLICATIONS  of  Deuterated n-Butyl acrylate-d3 

1. Mass Spectrometry Method Development
As a deuterated analogue, n-Butyl Acrylate-d3 is indispensable in the development of quantitative MS assays. It is commonly used as an internal standard for:

• HRMS calibration
• GC/MS impurity detection
• Stable isotope dilution analysis
• Structural elucidation via controlled fragmentation

The defined mass shift enhances signal resolution, enabling accurate quantification even in complex matrices.

2. Polymer Chemistry and Mechanistic Studies
Researchers in polymer synthesis and materials science use n-Butyl Acrylate-d3 to examine:

• Propagation rate constant measurements
• Copolymerization reactivity ratios
• Monomer consumption kinetics
• Chain-end analysis and polymer degradation pathways
• Diffusion and mobility of polymer chains using deuterium NMR

The isotopic label acts as a molecular tracer, allowing precise mapping of polymer architecture and reaction progression.

3. Reaction Mechanism and Kinetic Isotope Effect Studies
Because deuterium alters vibrational frequencies and bond dissociation energies, this monomer is ideal for:

• Evaluating kinetic isotope effects (KIE)
• Mechanistic probing of acrylate polymerization pathways
• Studying hydrogen transfer, radical propagation, and side-reaction suppression

In mechanistic chemistry, deuterated monomers offer unparalleled insights into reaction energy landscapes.

4. Material Science and Coatings Research
In coatings, adhesives, and pressure-sensitive material research, n-Butyl Acrylate-d3 assists in:

• Tracking monomer migration
• Studying polymer blend compatibility
• Investigating surface diffusion and penetration into substrates
• Isotope-based mapping of polymer matrices via neutron scattering and advanced spectroscopic methods

The ability to selectively detect deuterated regions provides high-resolution structural information about hybrid or multilayer materials.

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ANALYTICAL ADVANTAGES

Deuterated n-Butyl Acrylate-d3 is engineered to support high-end analytical workflows. Its advantages include:

• Lower background interference in LC-MS and GC-MS profiles
• Better quantitative reproducibility compared to unlabeled standards
• Compatibility with ¹H NMR, ²H NMR, ¹³C NMR, FT-IR, and HRMS
• Clean isotope patterns that simplify spectral interpretation
• Robust internal standard behavior for calibration curves and validation studies

These benefits make it a trusted standard across regulated laboratories, CROs, and industrial R&D settings.

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WHY CHOOSE RESOLVEMASS LABORATORIES INC.?

ResolveMass Laboratories Inc. specializes in high-purity, isotopically enriched deuterated chemicals designed for pharmaceutical, analytical, and advanced material applications. Each batch of n-Butyl Acrylate-d3 is produced under stringent quality systems, supported by CoA documentation, spectral validation, and technical support from experienced chemists.

Whether you require small-scale research quantities or large-scale custom synthesis, ResolveMass provides reliability, reproducibility, and tailored guidance to support your development programs.

 

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