Description

n-Hexyl-1,1-D2 Alcohol is a selectively deuterated derivative of 1-hexanol, where two hydrogen atoms at the 1-position are replaced with deuterium. This isotopic labeling is critical for applications requiring precise molecular tracking and reduced metabolic lability. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors for use as a stable isotope-labeled intermediate, tracer, or solvent in NMR spectroscopy, mass spectrometry, and mechanistic studies.

Application

• Pharmaceutical Research & Development: Serves as a deuterated building block or solvent in the synthesis of novel Active Pharmaceutical Ingredients (APIs) for metabolic and pharmacokinetic (DMPK) studies.
• Analytical Chemistry & Spectroscopy: Employed as an internal standard or tracer in quantitative Nuclear Magnetic Resonance (qNMR) and Liquid Chromatography-Mass Spectrometry (LC-MS) due to its isotopic purity.
• Agrochemical Science: Used in the development and environmental fate studies of deuterated pesticides and herbicides to track degradation pathways.
• Organic Synthesis & Catalysis: Acts as a specialized reagent or solvent in deuterium-labeling reactions and mechanistic investigations to study kinetic isotope effects (KIE).
• Materials Science: Utilized in the synthesis of deuterated polymers or liquid crystals to modify physical properties for specialized optical or electronic applications.

Basic Information

Product Name	n-Hexyl-1,1-D2 Alcohol
CAS No.	52598-04-6
Molecular Formula	C6H12D2O
Molecular Weight	104.20 g/mol
Synonyms	1-Hexanol-1,1-d2; 1,1-Dideutero-1-hexanol; Hexan-1-ol-1,1-d2; Deuterated 1-Hexanol; 1-Hexyl Alcohol-d2; D2-Hexanol; n-Hexyl-d2 Alcohol; [1,1-2H2]Hexan-1-ol
EINECS	Contact for details

Quality Control

Our n-Hexyl-1,1-D2 Alcohol is produced under strict quality management protocols. Each batch is characterized and tested to ensure high chemical and isotopic purity, meeting the stringent requirements for research and industrial use. Certificates of Analysis (COA) detailing parameters such as assay, isotopic enrichment (D atom %), and impurity profile are provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR / NMR)	Conforms to structure
Assay (GC / HPLC)	≥ 98.0%
Isotopic Purity (D atom %)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.