Overview of Butyric-2,2-d2 Acid | CAS 19136-92-6
Butyric-2,2-d2 acid is a stable isotope-labeled analog of butyric acid, where two hydrogen atoms at the α-carbon position are replaced with deuterium. This isotopically enriched compound is primarily used as an internal standard or tracer molecule in metabolomic studies, mass spectrometry, and isotope dilution assays. The substitution with deuterium allows researchers to track metabolic pathways and perform accurate quantitative analyses without altering the compound’s core chemical behavior.
Butyric-2,2-d2 acid is a deuterated analog of butyric acid with two deuterium substitutions. It is used in metabolic research, NMR, and MS as a reference standard and tracer. Its isotopic enrichment makes it a powerful tool in gut microbiome research, fatty acid metabolism studies, and pharmacokinetics.
| Molecular Formula | C₄H₆D₂O₂ |
| Molecular Weight | 90.12 |
| Storage condition | Store at 2-8°C |
| IUPAC Name | 2,2-dideuteriobutanoic acid |
| InChI | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i3D2 |
| InChIKey | FERIUCNNQQJTOY-SMZGMGDZSA-N |
| SMILES | [2H]C([2H])(CC)C(=O)O |
| XLogP3 | 0.8 |
| Exact Mass | 90.064982986 Da |
| Monoisotopic Mass | 90.064982986 Da |
Applications of Butyric-2,2-d2 Acid | CAS 19136-92-6
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Metabolic and Pharmacokinetic Studies:
Used to trace fatty acid metabolism, short-chain fatty acid biosynthesis, and microbial fermentation processes. Its isotopic stability makes it ideal for differentiating endogenous butyric acid from labeled standards in biological samples. -
Analytical Reference Standard:
Employed as a reference material in GC-MS and LC-MS/MS analysis to enhance quantitation accuracy in biofluids, fermentation media, and environmental matrices. -
Stable Isotope Labeling Experiments:
Supports research on carbon flux and energy metabolism by enabling precise isotope ratio determination and metabolic pathway elucidation. -
Deuterium Labeling Research:
Butyric-2,2-d2 acid serves as a model compound for studying the kinetic isotope effect in enzymatic reactions and organic synthesis mechanisms.
Chemical and Physical Properties
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Appearance: Clear to pale yellow liquid
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Odor: Characteristic rancid or buttery odor (mild due to deuteration)
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Boiling Point: ~163–165°C
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Purity: ≥98% (isotopic enrichment confirmed by NMR and MS)
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Storage Conditions: Store at 2–8°C, in tightly sealed containers, under inert gas to prevent oxidation.
Quality and Availability
At ResolveMass Laboratories Inc., Butyric-2,2-d2 acid is offered with high isotopic purity and analytical-grade quality, suitable for research and industrial applications. Each batch undergoes comprehensive QC testing, including GC-MS, NMR, and LCMS verification for isotopic incorporation and purity confirmation. Custom pack sizes and bulk synthesis are available upon request for extended R&D or production needs.
Ordering Information
To request a certificate of analysis (CoA), custom synthesis, or bulk quantity quote, please contact our technical sales team at info@resolvemass.ca
ResolveMass Laboratories Inc. — Your trusted partner for isotopically labeled compounds, custom synthesis, and advanced analytical solutions.
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