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2-Methoxyphenol-[3,4,5,6-d4]

General Information
Catalog: BLP-010403
CAS: 7329-52-4
Molecular Formula: C7H4D4O2
Molecular Weight: 128.16
Chemical Structure
2-Methoxyphenol-[3,4,5,6-d4]
Description 2-Methoxyphenol-[3,4,5,6-d4] is the labelled analogue of Guaiacol. Guaiacol is an agent that is believed to have disinfecting properties and is used as an expectorant.
Synonyms 2-Methoxyphenol-3,4,5,6-D4; d4-2-methoxyphenol; Phen-2,3,4,5-d4-ol, 6-methoxy-; 2-Hydroxyanisole-d4; Anastil-d4; Guaiacol-d4; Guaiastil-d4; Methylcatechol-d4; o-Hydroxyanisole-d4; O-Methoxyphenol-d4; NSC 3815-d4; o-Methoxy-phenol-d4
IUPAC Name 2,3,4,5-tetradeuterio-6-methoxyphenol
Related CAS 90-05-1 (unlabelled)
Canonical SMILES COC1=CC=CC=C1O
InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2D,3D,4D,5D
InChI Key LHGVFZTZFXWLCP-QFFDRWTDSA-N
Purity ≥95%; 98% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Orange Oily Matter
Storage Store at 2-8°C under inert atmosphere

2-Methoxyphenol-[3,4,5,6-d4] is a deuterated compound that finds use in various scientific applications, especially in analytical chemistry and research. Here are some key applications of 2-Methoxyphenol-[3,4,5,6-d4]:

Stable Isotope Labeling: In research involving stable isotope labeling, 2-Methoxyphenol-[3,4,5,6-d4] acts as a critical standard. Its deuterium atoms serve as tracers in mass spectrometry to facilitate the quantification of phenol compounds in complex mixtures. This allows for accurate studies of metabolic pathways and chemical transformations.

NMR Spectroscopy: 2-Methoxyphenol-[3,4,5,6-d4] is utilized in nuclear magnetic resonance (NMR) spectroscopy as a reference compound. The deuterium labeling helps in reducing signal interference, providing clearer results and enhancing spectral analysis. Researchers use this information to investigate molecular structures and dynamics more effectively.

Pharmacokinetic Studies: The deuterated nature of 2-Methoxyphenol-[3,4,5,6-d4] makes it valuable in pharmacokinetic research. It serves as a non-radioactive marker in the study of drug absorption, distribution, metabolism, and excretion. This application aids in better understanding the biodistribution and metabolic fate of drugs.

Environmental Analysis: In environmental chemistry, 2-Methoxyphenol-[3,4,5,6-d4] can be employed to track phenolic pollutants. It serves as an internal standard in gas or liquid chromatography to accurately quantify phenolic contaminants in air, water, and soil samples. This contributes to monitoring and managing environmental pollution effectively.

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