Cas no 285978-25-8 (1,3-Propanediol-d8)

1,3-Propanediol-d8 is a deuterated analog of 1,3-propanediol, where all hydrogen atoms are replaced by deuterium (D). This isotopically labeled compound is primarily used as a stable internal standard in mass spectrometry and NMR spectroscopy, ensuring precise quantification and structural analysis in metabolic and pharmacokinetic studies. Its high isotopic purity (>98% D) and chemical stability make it particularly valuable for tracing biochemical pathways and studying reaction mechanisms. The deuterium substitution minimizes interference from protonated species, enhancing analytical accuracy. Additionally, 1,3-Propanediol-d8 finds applications in organic synthesis and materials science, where deuterated compounds are required for specialized research.
1,3-Propanediol-d8 structure
1,3-Propanediol-d8 structure
Product Name:1,3-Propanediol-d8
CAS No:285978-25-8
MF:C3H8O2
MW:84.1437149047852
CID:248546
PubChem ID:71308889
Update Time:2025-10-21

1,3-Propanediol-d8 Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propane-1,1,2,2,3,3-d6-diol-d2(9CI)
    • 1,3-PROPANEDIOL-D8
    • HY-W017758S1
    • 1,1,2,2,3,3-hexadeuterio-1,3-dideuteriooxypropane
    • D98823
    • 285978-25-8
    • 1,3-Propanediol-d8, 98 atom % D
    • CS-0568188
    • 1,3-Propanediol-d8
    • Inchi: 1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1D2,2D2,3D2,4D,5D
    • InChI Key: YPFDHNVEDLHUCE-JVKIUYSHSA-N
    • SMILES: O([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]

Computed Properties

  • Exact Mass: 84.102643461g/mol
  • Monoisotopic Mass: 84.102643461g/mol
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 2
  • Complexity: 12.4
  • 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: -1
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.162 g/mL at 25 °C
  • Melting Point: -27 °C(lit.)
  • Boiling Point: 214 °C(lit.)
  • Flash Point: 93 °C
  • PSA: 40.46000
  • LogP: -0.63890

1,3-Propanediol-d8 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
P760358-5mg
1,3-Propanediol-d8
285978-25-8
5mg
$ 75.00 2023-09-06
TRC
P760358-10mg
1,3-Propanediol-d8
285978-25-8
10mg
$ 115.00 2023-09-06
TRC
P760358-50mg
1,3-Propanediol-d8
285978-25-8
50mg
$454.00 2023-05-17

Additional information on 1,3-Propanediol-d8

1,3-Propanediol-d8: A Comprehensive Overview

1,3-Propanediol-d8, also known by its CAS number 285978-25-8, is a deuterated compound that has gained significant attention in various scientific and industrial applications. This compound is a derivative of 1,3-propanediol, where eight hydrogen atoms have been replaced with deuterium atoms. The substitution of hydrogen with deuterium imparts unique physical and chemical properties to the molecule, making it highly valuable in research and development.

The synthesis of 1,3-propanediol-d8 involves advanced chemical processes that ensure high purity and isotopic enrichment. Recent studies have highlighted the importance of deuterated compounds in nuclear magnetic resonance (NMR) spectroscopy, where the use of deuterium helps in simplifying spectra by suppressing solvent signals. This property has made 1,3-propanediol-d8 an essential tool in analytical chemistry for studying molecular structures and dynamics.

In the field of pharmacology, 1,3-propanediol-d8 has been utilized as a stable isotope-labeled precursor in drug discovery and development. Its ability to serve as a bioisoster of 1,3-propanediol allows researchers to study drug metabolism and pharmacokinetics with greater precision. Recent advancements in mass spectrometry techniques have further enhanced the utility of this compound in tracing metabolic pathways and understanding drug interactions within biological systems.

The application of 1,3-propanediol-d8 extends beyond pharmaceuticals into materials science and green chemistry. Researchers have explored its potential as a building block for synthesizing advanced polymers and biodegradable materials. For instance, studies published in leading journals have demonstrated the use of 1,3-propanediol-d8 in creating polyesters with improved mechanical properties and reduced environmental impact.

Moreover, the isotopic labeling provided by 1,3-propanediol-d8 has proven invaluable in biochemical studies. By incorporating this compound into biological systems, scientists can track metabolic processes and enzyme activities with unprecedented accuracy. This has led to breakthroughs in understanding cellular metabolism and developing novel therapeutic strategies.

Recent research has also focused on the environmental implications of using deuterated compounds like 1,3-propanediol-d8. Studies indicate that these compounds exhibit similar biodegradation patterns to their non-deuterated counterparts but offer enhanced stability under certain conditions. This dual functionality makes them ideal for both laboratory experiments and industrial applications.

In conclusion, 1,3-Propanediol-d8 (CAS No: 285978-25-8) stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique properties derived from deuterium substitution continue to drive innovation in research and development. As scientific advancements progress, the role of 1,3-propanediol-d8 is expected to expand further, contributing to breakthroughs in medicine, materials science, and environmental sustainability.

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