Resorcinol-d6 | CAS No.: 70938-00-0

Resorcinol-d6 | CAS No.: 70938-00-0 | Deuterated Phenolic Standard

Chemical Name: Resorcinol-d6
Molecular Formula: C6D6O2
Molecular Weight: 116.15 g/mol
Synonyms: Benzene-1,3-diol-d6, m-Dihydroxybenzene-d6, 1,3-Benzenediol-d6, m-Resorcinol-d6
Isotopic Labeling: Fully deuterated (6 deuterium atoms)
Isotopic Enrichment: ≥98 atom % D

---

Product Overview

Resorcinol-d6 (CAS No. 70938-00-0) is a fully deuterated analog of resorcinol (1,3-benzenediol), an aromatic dihydroxy compound widely used in analytical chemistry, pharmaceuticals, polymer research, and cosmetic science. In this isotopically labeled version, all six hydrogen atoms on the aromatic ring are replaced with deuterium atoms, resulting in a stable isotope-labeled compound with a molecular weight increase of six daltons compared to its non-deuterated counterpart.

Deuterated resorcinol is an essential reference standard and internal calibrant for NMR spectroscopy, mass spectrometry (MS), and kinetic isotope effect studies. It is commonly utilized in isotopic tracing experiments, chemical mechanism elucidation, and the quantitative analysis of resorcinol and related phenolic compounds in environmental, biological, and industrial samples.

---

Structural and Isotopic Characteristics

Resorcinol-d6 maintains the characteristic benzene ring with hydroxyl groups at the 1- and 3-positions, identical to native resorcinol in structure and reactivity. The replacement of the ring’s hydrogen atoms with deuterium introduces subtle yet analytically significant differences:

• Increased molecular mass (M + 6) for isotope differentiation

• Distinct fragmentation pattern in mass spectrometry (MS and GC-MS)

• Shifted chemical shift patterns in ¹H and ²H NMR spectroscopy

• Enhanced stability against proton exchange and degradation in analytical matrices

These properties make Resorcinol-d6 an ideal isotopic analog for use as an internal standard in quantitative analyses, as well as for studying reaction mechanisms involving aromatic hydroxylation, oxidation, and substitution.

---

Applications

1. Internal Standard for Analytical Chemistry

Resorcinol-d6 serves as a stable isotope-labeled internal standard in high-precision analytical methods such as LC-MS/MS, GC-MS, and NMR.
Its identical chromatographic behavior to natural resorcinol but shifted mass spectral profile allows accurate quantification of trace levels of resorcinol in:

• Pharmaceutical formulations

• Environmental samples (e.g., industrial effluents, soil, and water)

• Cosmetic and personal care products

• Polymer degradation studies

Using Resorcinol-d6 as an internal reference significantly improves analytical accuracy, reproducibility, and matrix-effect correction in isotope dilution mass spectrometry.

---

2. Reaction Mechanism and Kinetic Studies

Deuterated resorcinol is a valuable tool for kinetic isotope effect (KIE) investigations in organic chemistry. It allows chemists to monitor hydrogen–deuterium substitution rates, assess reaction pathways, and determine bond cleavage kinetics in electrophilic aromatic substitution or oxidative degradation processes.
Because deuterium forms stronger C–D bonds than hydrogen’s C–H bonds, the rate differences between labeled and unlabeled resorcinol provide mechanistic insights into rate-determining steps.

---

3. NMR Spectroscopy and Calibration

In NMR spectroscopy, Resorcinol-d6 is often employed as a solvent reference or calibration standard for chemical shift alignment. The absence of proton signals simplifies spectral interpretation in proton NMR and enables accurate deuterium quantitation using ²H NMR.
Its well-defined aromatic structure and chemical stability make it ideal for calibrating and validating NMR systems used in pharmaceutical and academic research.

---

4. Environmental and Industrial Applications

Resorcinol is a widely used industrial chemical in adhesive resins, dyes, UV absorbers, and pharmaceuticals. The deuterated analog, Resorcinol-d6, is essential in tracing and quantifying environmental contamination, degradation products, and transformation pathways in wastewater or soil samples.
Researchers use it in isotopic labeling experiments to understand the environmental fate and degradation kinetics of phenolic pollutants.

---

Technical Specifications

All production batches are validated using ¹H/²H NMR, LC-MS, and FTIR to confirm isotopic incorporation, structural integrity, and purity.

---

Handling and Safety

Although Resorcinol-d6 is non-radioactive and chemically stable, it should be handled following standard laboratory safety protocols. Avoid inhalation, ingestion, or skin contact. Work in a well-ventilated area or fume hood and wear appropriate PPE (gloves, goggles, and lab coat).
Dispose of all waste in accordance with local regulations.
Consult the Safety Data Sheet (SDS) for detailed hazard and first-aid information.

Custom synthesis and bulk manufacturing options are available for research organizations and industrial laboratories requiring specific isotopic labeling patterns or larger-scale quantities.

---

Why Choose ResolveMass Laboratories Inc.?

At ResolveMass Laboratories Inc., we are dedicated to advancing isotopic chemistry through precision synthesis and analytical excellence. Our team specializes in deuterium-labeled standards, reference compounds, and analytical reagents designed for high-sensitivity research and industrial applications.
With ISO 9001:2015 certification, advanced LC-MS/NMR characterization facilities, and a focus on lot-to-lot consistency, we ensure the highest standards of quality, isotopic integrity, and reliability.
Whether for quantitative analytical standards, isotope dilution methods, or custom deuterium-labeled synthesis, ResolveMass provides complete solutions for your research needs.