Cas no 1219803-96-9 (2-Butoxyethanol--d4)

2-Butoxyethanol--d4 is a deuterated analog of 2-butoxyethanol, where four hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing improved signal resolution and reduced interference in analytical studies. The compound retains the chemical properties of its non-deuterated counterpart, making it suitable for mechanistic investigations, metabolic studies, and solvent applications in research. Its high isotopic purity ensures reliable results in tracer experiments and kinetic analyses. 2-Butoxyethanol--d4 is particularly valuable in environmental and toxicological research, where precise tracking of molecular behavior is essential. The deuterated form offers minimal background noise, facilitating accurate data interpretation.
2-Butoxyethanol--d4 structure
2-Butoxyethanol--d4 structure
Product Name:2-Butoxyethanol--d4
CAS No:1219803-96-9
MF:C6H14O2
MW:122.2
CID:1004339
PubChem ID:131701164
Update Time:2025-10-28

2-Butoxyethanol--d4 Chemical and Physical Properties

Names and Identifiers

    • 2-Butoxyethanol--d4
    • 2-Butoxyethanol-d4
    • [2H4]-2-Butoxyethanol
    • 2-BUTOXYETHANOL (1,1,2,2-D4, 99%) 1000 UG/ML IN WATER
    • 2-Butoxyethanol-1,1,2,2-d4
    • 2-Butoxy-1,1,2,2-tetradeuterioethanol
    • 2-butoxy-1,1,2,2-tetradeuterio-ethanol
    • DB-313828
    • D99273
    • 1219803-96-9
    • Inchi: 1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
    • InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N
    • SMILES: C(CCC)OC([H])([H])C([H])([H])O

Computed Properties

  • Exact Mass: 122.124486669g/mol
  • Monoisotopic Mass: 122.124486669g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 5
  • Complexity: 37.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 29.5?2

2-Butoxyethanol--d4 Pricemore >>

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Additional information on 2-Butoxyethanol--d4

2-Butoxyethanol-d4: A Comprehensive Overview

2-Butoxyethanol-d4 is a deuterated analog of 2-butoxyethanol, a compound widely recognized for its versatile applications in various industries. The CAS number 1219803-96-9 uniquely identifies this compound, distinguishing it from other similar substances. This deuterated version is particularly valuable in scientific research, especially in fields requiring precise chemical analysis and isotopic labeling.

The molecular structure of 2-butoxyethanol-d4 consists of a butoxy group (-O-C4H9) attached to an ethanol backbone (CH3CH2OH), with four deuterium atoms incorporated into the molecule. This deuterium substitution enhances its utility in nuclear magnetic resonance (NMR) spectroscopy, where the unique properties of deuterium provide clearer signals and improved resolution. Recent advancements in NMR techniques have further highlighted the importance of deuterated solvents like 2-butoxyethanol-d4 in achieving high-quality spectral data.

One of the most significant applications of 2-butoxyethanol-d4 is in the field of analytical chemistry. Researchers often use it as a solvent or internal standard due to its stability and compatibility with a wide range of chemical reactions. Its ability to dissolve both polar and non-polar compounds makes it an ideal choice for complex sample preparation processes. Moreover, the deuterium substitution minimizes interference in spectroscopic analyses, ensuring accurate and reliable results.

In the context of environmental science, 2-butoxyethanol-d4 has been employed as a tracer in studies investigating contaminant transport and degradation pathways. By utilizing its isotopic properties, scientists can track the movement of pollutants in soil and water systems with unprecedented precision. Recent studies have demonstrated its effectiveness in assessing bioremediation processes, where microbial activity plays a crucial role in breaking down organic contaminants.

The synthesis of 2-butoxyethanol-d4 involves a multi-step process that ensures high purity and isotopic enrichment. The starting materials are carefully selected to minimize impurities, while the reaction conditions are optimized to achieve maximum yield. Advanced purification techniques, such as distillation and chromatography, are employed to ensure that the final product meets rigorous quality standards.

From a commercial perspective, 2-butoxyethanol-d4 is widely available from specialty chemical suppliers catering to research institutions and industries. Its demand continues to grow as researchers explore new applications across diverse fields. For instance, in materials science, it has been used as a precursor in the synthesis of advanced polymers and surfactants.

In conclusion, 2-butoxyethanol-d4 (CAS No: 1219803-96-9) is a versatile compound with significant contributions to modern scientific research. Its unique properties make it indispensable in analytical chemistry, environmental science, and materials development. As technological advancements continue to unfold, the role of this deuterated compound is expected to expand further, driving innovation across multiple disciplines.

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