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1-Hexan-[d13]-ol

General Information
Catalog: BLP-009378
CAS: 204244-84-8
Molecular Formula: C6HD13O
Molecular Weight: 115.25
Chemical Structure
1-Hexan-[d13]-ol
Description 1-Hexan-[d13]-ol is a deuterated version of 1-Hexanol, a linear primary alcohol. 1-Hexanol is produced from coconut oil and palm oils. It is used in the production of antiseptics, fragrances and perfumes.
Synonyms n-Hexyl-d13 Alcohol
IUPAC Name 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol
Related CAS 111-27-3 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
Canonical SMILES CCCCCCO
InChI InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2
InChI Key ZSIAUFGUXNUGDI-UTBWLCBWSA-N
Boiling Point 156.5°C (lit.)
Melting Point −52°C (lit.)
Purity ≥99% by CP; ≥98% atom D
Density 0.918 g/cm3
Storage Store at RT

1-Hexan-[d13]-ol is a labeled isotopic compound used in a variety of scientific fields, particularly in analytical chemistry and biochemistry. Here are some key applications of 1-Hexan-[d13]-ol:

Stable Isotope Labeling: In metabolic studies, 1-Hexan-[d13]-ol is used as a stable isotope tracer to analyze metabolic pathways. By incorporating this labeled compound, researchers can trace the flow and conversion of molecules within complex biological systems. This provides insights into metabolic flux and supports studies in areas like pharmacokinetics and disease metabolism.

NMR Spectroscopy: 1-Hexan-[d13]-ol is utilized in nuclear magnetic resonance (NMR) spectroscopy due to its isotopic labeling, which aids in identifying molecular structures and dynamics. The deuterium atoms provide unique signals that simplify spectral analysis and improve resolution. This application is valuable in structural elucidation of organic molecules and complex mixtures.

Environmental Chemistry: In environmental studies, 1-Hexan-[d13]-ol serves as an internal standard in gas chromatography-mass spectrometry (GC-MS) analyses to quantify volatile organic compounds. Its role as a standard improves accuracy and precision in detecting environmental pollutants and assessing contamination levels. This contributes to effective environmental monitoring and pollution control efforts.

Analytical Method Development: 1-Hexan-[d13]-ol is employed in the development and validation of analytical methods and techniques. Its stable isotopic composition makes it ideal for calibration and quantification in analytical assays. Researchers use it to ensure reliability and consistency in measurement results across various analytical platforms.

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