Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
General Information |
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Catalog: BLP-009378 |
CAS: 204244-84-8 |
Molecular Formula: C6HD13O |
Molecular Weight: 115.25 |
Chemical Structure |
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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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