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2-Propanol-1,1,1,3,3,3-D6 CAS NO 3976-29-2


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CAS No.:3976-29-2

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

2-Propanol-1,1,1,3,3,3-D6 is a deuterated isotopologue of isopropanol, where six hydrogen atoms are replaced by deuterium, a stable hydrogen isotope. This high isotopic purity makes it an essential tool for advanced analytical techniques and mechanistic studies where standard solvents cause interference. It is primarily used by researchers and manufacturers in the pharmaceutical, chemical, and analytical industries for applications such as NMR spectroscopy, mass spectrometry, and as a solvent in specialized synthesis.

Application

  • NMR Spectroscopy: Used as a deuterated solvent for proton NMR to provide a lock signal and avoid solvent interference in spectral analysis.
  • Mass Spectrometry: Employed as a matrix or solvent in MS studies, including LC-MS and GC-MS, for accurate mass determination and fragmentation analysis.
  • Mechanistic Studies: Serves as a tracer in chemical and biochemical reaction mechanisms to study kinetic isotope effects (KIE) and metabolic pathways.
  • Pharmaceutical Research: Utilized in the synthesis and analysis of deuterated active pharmaceutical ingredients (APIs) for improved metabolic stability and bioavailability.
  • Specialty Chemical Synthesis: Acts as a deuterium source or solvent in the synthesis of labeled compounds for research and diagnostic purposes.
  • Analytical Reference Standard: Functions as a high-purity internal standard for quantitative analysis in various chromatographic and spectroscopic methods.

Basic Information

Item Detail
Product Name 2-Propanol-1,1,1,3,3,3-D6
CAS No. 3976-29-2
Molecular Formula C3D6O
Molecular Weight 64.12 g/mol
Synonyms Isopropanol-d6; (CD3)2CHOD; Deuterated Isopropanol; 2-Propanol-d6; IPA-d6; Isopropyl Alcohol-d6; (2H6)Isopropanol; 1,1,1,3,3,3-Hexadeutero-2-propanol
EINECS 223-621-4

Quality Control

Our 2-Propanol-1,1,1,3,3,3-D6 is manufactured under strict quality systems to ensure high isotopic and chemical purity. Each batch is analyzed using advanced techniques including NMR, GC-MS, and Karl Fischer titration. A comprehensive Certificate of Analysis (COA) is provided, detailing isotopic enrichment (typically ≥99.5 atom % D), chemical purity, and solvent residue levels to meet the stringent requirements of research and analytical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong acids and oxidizing agents. Due to its hygroscopic nature, minimize exposure to atmospheric moisture during handling.

Specification

Item Specification
Appearance Clear, colorless liquid
Identification (IR) Conforms to structure
Isotopic Purity (NMR) ≥ 99.5 atom % D
Chemical Purity (GC) ≥ 99.5%
Water Content (KF) ≤ 0.1%

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

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