3,5-Dimethylbenzoic-d9-acid | CAS 1335014-65-7

OVERVIEW  of  3,5-Dimethylbenzoic-d9-acid | CAS 1335014-65-7
3,5-Dimethylbenzoic-d9-acid is a highly specialized isotopically labeled compound widely utilized in analytical chemistry, pharmaceutical research, and isotope tracing applications. The deuterium labeling enhances analytical differentiation while maintaining the chemical properties of its hydrogen analog. This makes it a valuable compound for researchers investigating molecular structures, metabolic pathways, and reaction kinetics.

At ResolveMass Laboratories Inc., we manufacture and supply high-purity deuterated standards such as 3,5-Dimethylbenzoic-d9-acid to support scientists in obtaining accurate, reproducible, and traceable data. The product meets stringent specifications required for analytical, academic, and industrial laboratories engaged in high-end chemical characterization and stable isotope studies.

CHEMICAL INFORMATION

• Chemical Name: 3,5-Dimethylbenzoic-d9-acid

• Synonyms: Benzoic acid, 3,5-dimethyl-, nonadeutero-; 3,5-Dimethylbenzoic acid-d9

• CAS Number: 1335014-65-7

• Molecular Formula: C₉D₉CO₂H

• Molecular Weight: 159.23 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

DESCRIPTION AND PROPERTIES
3,5-Dimethylbenzoic-d9-acid is a deuterium-substituted aromatic carboxylic acid featuring two methyl groups positioned at the 3 and 5 sites on the benzene ring. Deuteration introduces heavier isotopic mass (²H vs. ¹H), yielding subtle yet meaningful changes in vibrational frequency and bond energy. These isotopic variations enhance the molecule’s analytical distinguishability without altering its chemical behavior, ensuring compatibility with standard benzoic acid analogs in reactions and analyses.

This compound’s high isotopic enrichment ensures consistent performance in techniques such as GC-MS, LC-MS, and NMR spectroscopy, where mass and signal differentiation between hydrogen and deuterium play a crucial role. The compound’s robustness, chemical stability, and reproducibility make it indispensable for isotope-dilution analysis, reaction mechanism elucidation, and internal standardization in complex analytical workflows.

APPLICATIONS  of  3,5-Dimethylbenzoic-d9-acid | CAS 1335014-65-7

1. Stable Isotope Labeling:
   3,5-Dimethylbenzoic-d9-acid is commonly used as a labeled tracer to monitor chemical transformations, isotope exchange processes, and molecular interactions in both organic and biological systems. Its deuterium atoms provide a clear isotopic signature for distinguishing labeled molecules during analysis.

2. Pharmaceutical and Metabolic Research:
   In drug discovery and pharmacokinetics, deuterated compounds like 3,5-Dimethylbenzoic-d9-acid are valuable for examining drug stability, metabolic resistance, and degradation pathways. The kinetic isotope effect (KIE) associated with deuterium slows down metabolic cleavage, aiding in the study of drug longevity and bioavailability.

3. Analytical Standard and Calibration Reference:
   This compound is an excellent internal standard for MS and NMR quantitation. Its predictable chromatographic and spectral behavior improves data precision, calibration accuracy, and reproducibility across analytical platforms.

4. Kinetic and Mechanistic Studies:
   Researchers employ 3,5-Dimethylbenzoic-d9-acid in kinetic isotope effect experiments to study bond cleavage mechanisms, reaction transition states, and rate-limiting steps. The C–D bond’s enhanced stability provides valuable insights into chemical reactivity.

5. Environmental and Tracer Applications:
   Deuterium-labeled aromatic acids are widely used as safe, non-radioactive tracers for studying pollutant dispersion, biodegradation rates, and environmental transport phenomena. Their stable isotopic signature makes them easy to detect in complex matrices.

6. NMR and Mass Spectrometry Calibration:
   In NMR, deuterated benzoic acids provide spectral simplification by reducing proton-related signals, enhancing resolution and clarity. In MS, they serve as calibration references for mass offset correction and isotopic ratio quantification.

ANALYTICAL ADVANTAGES

• High isotopic and chemical purity ensuring accurate analytical performance

• Excellent signal separation in mass and NMR spectra

• Reduced background interference due to deuterium substitution

• Stable performance in chromatographic and spectroscopic systems

• Reliable internal standard for quantitation and isotope ratio studies

• Compatible with GC-MS, LC-MS, and NMR techniques

QUALITY AND MANUFACTURING
ResolveMass Laboratories Inc. produces 3,5-Dimethylbenzoic-d9-acid through precision-controlled deuteration processes that guarantee consistent isotopic labeling and structural fidelity. Each batch undergoes multi-stage analytical verification using NMR spectroscopy, GC-MS, and HPLC to confirm purity, isotopic content, and chemical identity.

Our manufacturing process follows international quality guidelines to ensure reproducibility, traceability, and compliance with research-grade analytical requirements. ResolveMass products are trusted by scientists worldwide for their reliability, reproducibility, and scientific accuracy in complex analytical applications.

CONCLUSION
3,5-Dimethylbenzoic-d9-acid represents a benchmark deuterated standard for analytical and research applications, combining high isotopic integrity with chemical reliability. Whether used for mass spectrometry calibration, metabolic tracking, or isotope effect analysis, it offers unparalleled precision and reproducibility. Through the expertise of ResolveMass Laboratories Inc., researchers can depend on consistent product quality and dependable isotopic labeling for advanced scientific exploration.

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