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

OVERVIEW

Deuterated n-Butyl-d9 acrylate | CAS 928163-00-2 is a highly deuterated analogue of n-butyl acrylate in which nine hydrogen atoms on the n-butyl side chain are replaced with deuterium. Designed and manufactured to meet the demanding requirements of analytical chemistry and polymer research, this isotope-labeled monomer is primarily used as an internal standard for mass spectrometry and NMR spectroscopy, as well as a tracer or building block in mechanistic and kinetic studies of radical polymerization.

CHEMICAL INFORMATION

• Chemical name: n-Butyl-d9 acrylate
• Normalized name: Deuterated n-butyl acrylate
• CAS registry number: 928163-00-2
• Molecular formula: C7H3D9O2 (reported as a deuterated variant of C7H10O2)
• Molecular weight (nominal): Increased relative to protiated n-butyl acrylate due to deuterium incorporation; exact value depends on isotopic composition.

SYNONYMS & IDENTIFIERS

• n-Butyl-d9 acrylate
• d9-n-Butyl acrylate
• Deuterated n-butyl acrylate

PHYSICAL PROPERTIES

Deuterated analogues generally retain the bulk physical characteristics of their protiated counterparts while exhibiting shifts in spectroscopic behavior consistent with isotopic substitution. The product is supplied as a clear, colorless liquid. Reported physical properties for the base compound (n-butyl acrylate) are useful references; customers should consult the supplied Certificate of Analysis (CoA) for lot-specific numbers such as exact density, purity, and isotopic enrichment.

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

• Analytical Standards: Widely used as an internal standard for quantitative GC–MS, LC–MS, and HRMS workflows. The nine deuterium atoms provide a clear mass shift that simplifies peak identification and accurate quantitation in complex matrices.
• NMR Spectroscopy: Serves as a deuterium-enriched reference for 1H and 2H NMR experiments, reducing interfering proton signals from the butyl side chain and enabling clearer interpretation of spectra for nearby protons.
• Polymer Research & Synthesis: Employed in mechanistic studies, kinetic isotope effect (KIE) investigations, and as a labeled monomer to produce deuterated polymers for specialized applications such as neutron scattering, contrast-variation experiments, and degradation studies.
• Tracer Studies: Useful in metabolic, environmental, and degradation pathway investigations where a stable isotope label permits unambiguous tracking of the monomer or its polymerization products.

TECHNICAL SPECIFICATIONS

• Isotopic enrichment: High deuterium incorporation (typically >98% D on the labelled positions) — see lot CoA for exact enrichment.
• Purity: Supplied in high chemical purity suitable for analytical and research use; typical purities are ≥98% by GC or NMR depending on the lot.
• Typical form: Liquid, delivered under inert atmosphere when required to maintain stability.
• Storage life: Refer to the CoA for recommended shelf life; recommended storage under inert gas at low temperature improves longevity.

STORAGE & HANDLING

Handle deuterated n-butyl-d9 acrylate with the same precautions used for conventional acrylates. Avoid exposure to heat, sparks, open flames, and strong oxidizers. Because acrylate monomers can undergo unwanted polymerization, inhibitors may be present; consult the CoA for inhibitor type and concentration. Recommended handling practices:

• Store refrigerated (2–8 °C) or as specified on the product label.
• Keep containers tightly closed and under an inert atmosphere (nitrogen or argon) if the product is being stored long-term or if sensitivity is indicated on the CoA.
• Minimize exposure to light and elevated temperatures to prevent polymerization.
• Use appropriate secondary containment when transferring or weighing the material.

SAFETY & REGULATORY

Deuterated n-butyl-d9 acrylate shares hazard characteristics with conventional acrylates: it may cause skin and eye irritation, respiratory sensitization in some individuals, and is flammable. Consult the Safety Data Sheet (SDS) supplied with each shipment for complete hazard, first-aid, firefighting, and disposal information. When using this material for analytical work, follow institutional and local regulations regarding storage, waste handling, and disposal of specialty reagents.

QUALITY ASSURANCE

ResolveMass Laboratories Inc. supplies each lot of deuterated n-butyl-d9 acrylate with a Certificate of Analysis (CoA) that details isotopic enrichment, chemical purity, residual solvents, and any stabilizers or inhibitors present. Quality control testing commonly includes NMR verification of isotopic incorporation, GC or HPLC purity assessment, and mass spectrometric confirmation.

 

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