Deuterated tert-Butyl-d9 acrylate | CAS 928163-00-2

OVERVIEW

Deuterated tert-Butyl-d9 acrylate | CAS 928163-00-2 is a fully deuterium-labeled acrylate monomer in which all nine hydrogens on the tert-butyl group are replaced with deuterium. This isotopically enriched compound is highly valued in NMR spectroscopy, quantitative mass spectrometry, isotope-dilution studies, and polymer science due to its exceptional isotopic stability and predictable reactivity. Its combination of a polymerizable acrylate moiety and a deuterated tert-butyl group makes it an essential reference material, analytical standard, and precursor for advanced materials research.

ResolveMass Laboratories Inc. supplies premium-grade deuterated monomers with strict consistency, enabling researchers to achieve reproducible, publication-quality analytical results and controlled polymer architectures.

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CHEMICAL INFORMATION

Chemical Name: Deuterated tert-Butyl-d9 acrylate
CAS Number: 928163-00-2
Molecular Formula: C7H?D9O2 (commonly represented as C7D9H?O2 depending on notation; fully deuterated tert-butyl group)
Molecular Weight: 137.23 g/mol (exact value depends on isotopic purity)
Purity: Typically ≥98% chemical purity; deuterium enrichment often ≥98% D
Synonyms:

• t-Butyl-d9 acrylate

• Acrylic acid tert-butyl-d9 ester

• tert-Butyl acrylate-d9

• Acrylate-t-Bu-d9

The structure features an acrylate double bond (CH2=CH–COO–) esterified to a tert-butyl-d9 group, imparting stability while retaining the reactive polymerizable acrylate functionality. Because the tert-butyl group is fully deuterated, it acts as a clean mass-spectrometry tracer and a distinct NMR marker.

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ISOTOPE FEATURES AND ANALYTICAL VALUE

Deuterated tert-Butyl-d9 acrylate offers several advantages for sophisticated analytical workflows:

High Deuterium Incorporation

With nine deuterium atoms replacing the equivalent hydrogens, this compound provides a clear mass shift of +9 Da, allowing unmistakable differentiation from non-deuterated analogues in LC-MS, GC-MS, and HRMS studies.

Stable Under Analytical Conditions

The tert-butyl group is resistant to exchange under normal experimental environments, ensuring that the deuterium label remains intact during:

• Fragmentation studies

• Polymerization monitoring

• Mechanistic analyses

• Quantitative isotope-dilution experiments

Superior NMR Performance

The absence of proton signals from the tert-butyl position significantly simplifies 1H NMR spectra, enabling:

• Simplified structural elucidation

• Monitoring of acrylate polymerization

• Kinetic and mechanistic studies with reduced background noise

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APPLICATIONS of Deuterated tert-Butyl-d9 acrylate | CAS 928163-00-2

Deuterated tert-Butyl-d9 acrylate is widely used across chemical, materials, and pharmaceutical R&D. Key application areas include:

1. Polymer Science and Mechanistic Studies

Researchers use this monomer to investigate:

• Radical polymerization mechanisms

• Monomer reactivity ratios

• Chain-transfer behavior

• End-group analysis

• Degradation mechanisms of acrylate-based polymers

Its clear isotopic signature enables tracking of monomer incorporation during copolymerization and studying diffusion behavior within polymer matrices.

2. Mass Spectrometry Internal Standard

Due to its strong mass shift, tert-Butyl-d9 acrylate is a preferred internal standard for:

• LC-MS quantitation

• GC-MS calibration curves

• Isotope dilution assays

• Method validation in analytical laboratories

It ensures accurate quantification of acrylate derivatives even in complex matrices.

3. NMR Spectroscopy and Structure Confirmation

The deuteration dramatically cleans up proton NMR spectra, enabling:

• Precise monitoring of polymerization

• Verification of acrylate purity

• Assignment of acrylate double-bond chemical shifts

• Tracking reaction intermediates

4. Reaction Tracing and Kinetics

Because the label remains stable across many reaction conditions, chemists use this compound to:

• Track ester exchange

• Evaluate catalytic pathways

• Study radical initiator efficiency

• Determine kinetic isotope effects

5. Materials and Surface Science

In advanced materials research, this monomer is used to develop:

• Isotopically labeled copolymers

• Surface-grafted thin films

• Deuterated polymer matrices for neutron scattering

• Labeled polymer standards for molecular-weight calibration

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STABILITY, STORAGE, AND HANDLING

Deuterated tert-Butyl-d9 acrylate is generally stable when stored under standard monomer conditions:

• Keep in tightly sealed amber containers

• Store at low temperature (typically 2–8 °C)

• Protect from light and heat

• Inhibit premature polymerization using appropriate stabilizers (e.g., MEHQ if added by the supplier)

Avoid prolonged exposure to moisture or basic conditions, which may lead to ester hydrolysis or isotope exchange on non-tert-butyl positions. Handle under inert atmosphere if long-term isotopic integrity is required.

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ADVANTAGES OF SOURCING FROM RESOLVEMASS LABORATORIES INC.

ResolveMass Laboratories provides researchers with high-purity, high-isotopic-enrichment deuterated chemicals that deliver reproducibility, traceability, and superior analytical performance. Each batch of Deuterated tert-Butyl-d9 acrylate is supported with stringent documentation, including:

• Isotopic enrichment data

• Purity confirmation by NMR and/or MS

• COA and QC traceability

• Reliable lead times and secure logistics

Our team supports custom isotope labeling, bulk procurement for industrial R&D, and specialized monomer requests tailored to polymer chemistry and analytical sciences.

 

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