2-Chloroethanol-1,1,2,2-d4 | CAS 117067-62-6

OVERVIEW
2-Chloroethanol-1,1,2,2-d₄ (CAS 117067-62-6) is a deuterium-labelled analogue of 2-chloroethanol in which all four hydrogen atoms of the methylene groups are replaced by deuterium. This isotopically substituted compound is used primarily as a stable isotope internal standard or reference material for chromatographic and spectrometric analyses. It preserves the same physicochemical behavior as its non-labelled counterpart while exhibiting a +4 Da mass shift, allowing precise differentiation in mass spectrometry.

Because of its chemical similarity to native 2-chloroethanol, it is widely used in analytical method development, environmental analysis, toxicology, and metabolic studies. The deuterated form enables accurate quantification, correction for sample preparation losses, and compensation for matrix effects, ensuring greater reproducibility and confidence in results.

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CHEMICAL INFORMATION

• Chemical Name / Synonyms: 2-Chloroethanol-1,1,2,2-d₄; Ethanol, 2-chloro-1,1,2,2-d₄; Deuterated 2-chloroethanol

• CAS Number: 117067-62-6

• Molecular Formula: C₂D₄ClOH

• Molecular Weight: 84.54 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• Appearance: Clear, colorless to pale yellow liquid

Structurally, this compound consists of a two-carbon chain bearing a hydroxyl and a chlorine substituent, both retained from 2-chloroethanol. The complete deuteration of the carbon backbone provides the molecule with distinct mass properties while keeping its chemical reactivity nearly identical. This feature makes it an ideal labelled analogue for quantitative analyses and isotope tracing studies.

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APPLICATIONS OF 2-Chloroethanol-1,1,2,2-d4 | CAS 117067-62-6
2-Chloroethanol-1,1,2,2-d₄ finds extensive use in laboratories that rely on high-precision quantification and isotope ratio determination. Key applications include:

1. Internal Standard for Chromatographic and Spectrometric Analysis:
   It serves as a stable isotope internal standard in GC-MS or LC-MS/MS analysis of 2-chloroethanol and related halogenated alcohols. The deuterated analogue corrects for losses during sample preparation, matrix suppression, and instrument variability, enabling more accurate quantitation.

2. Environmental and Industrial Monitoring:
   2-Chloroethanol is a byproduct or intermediate in the synthesis of various chemicals such as ethylene oxide, ethylene chlorohydrin, and surfactant precursors. The deuterated form aids in developing and validating methods for environmental surveillance, ensuring accurate detection of chlorinated volatile organics in air, water, or industrial effluents.

3. Metabolic and Toxicological Studies:
   Deuterium-labelled 2-chloroethanol is used in tracer studies to monitor metabolic pathways and bio-transformation in biological systems. It helps differentiate between exogenous exposure and endogenous formation pathways of chlorinated ethanol species.

4. Analytical Method Validation:
   Laboratories use this compound during method validation to evaluate precision, recovery, linearity, and limits of detection (LOD/LOQ). It ensures reliable performance of analytical systems under regulatory standards such as GLP, ISO 17025, or EPA guidelines.

5. Research and Development Applications:
   It can be employed in isotope effect studies, kinetic experiments, and mechanism elucidation of halogenated organic reactions, offering insights into reaction dynamics and isotope substitution effects.

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ADVANTAGES

• High Isotopic Purity: ≥ 98 atom % D enrichment ensures minimal interference from unlabeled isotopologues.

• Chemical and Physical Equivalence: The molecule mirrors the behavior of native 2-chloroethanol, ensuring equivalent extraction efficiency, solubility, and chromatographic retention.

• Distinct Mass Shift (M+4): Allows unambiguous detection and quantification using MS or MS/MS.

• Enhanced Stability: Deuteration provides improved stability against oxidation and degradation, extending storage life.

• Accurate Quantification at Trace Levels: Enables precise measurements in complex matrices such as biological fluids, environmental samples, or industrial waste streams.

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HANDLING
2-Chloroethanol-1,1,2,2-d₄ should be handled only by trained laboratory personnel familiar with hazardous chemicals. It can be toxic if inhaled, ingested, or absorbed through the skin and may cause irritation to eyes and mucous membranes.

Handling Precautions:

• Use appropriate PPE including gloves, safety goggles, and lab coat.

• Handle in a well-ventilated fume hood to prevent inhalation exposure.

• Avoid contact with incompatible substances such as strong oxidizers or acids.

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QUALITY & DOCUMENTATION
At ResolveMass Laboratories Inc., 2-Chloroethanol-1,1,2,2-d₄ is manufactured and tested under strict quality control standards to ensure exceptional chemical purity and isotopic accuracy. Each lot is accompanied by:

• Certificate of Analysis (COA): Detailing isotopic enrichment, purity percentage, and analytical results.

• Safety Data Sheet (SDS): Outlining hazard classification and handling recommendations.

• Batch Traceability: Documentation ensuring consistent production and analytical reproducibility.

Custom concentrations, volumetric standards, and packaging formats are available to meet diverse analytical needs.

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SUMMARY
2-Chloroethanol-1,1,2,2-d₄ (CAS 117067-62-6) is a high-purity deuterium-labelled compound engineered for precision analytical and research applications. Its stable isotopic enrichment, chemical equivalence, and mass shift make it an indispensable tool for LC-MS and GC-MS quantification, method validation, and isotopic tracing.

ResolveMass Laboratories Inc. provides this compound with comprehensive quality documentation and strict production control, ensuring reliability and confidence for your laboratory’s analytical, environmental, or research workflows.

Learn more, Deuterated Polymers guidance.