Cas no 80156-55-4 (1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI))

1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) is a deuterated derivative of 1,2-propanediol, featuring selective deuteration at multiple positions. This isotopically labeled compound is primarily utilized in research applications, including NMR spectroscopy and mass spectrometry, where enhanced signal resolution and reduced background interference are critical. The incorporation of deuterium (d6) and additional deuterium substitution (d2) improves metabolic stability, making it valuable for tracer studies in pharmacokinetics and mechanistic investigations. Its high isotopic purity ensures reliable data in analytical and synthetic chemistry applications. The compound’s structural integrity and labeled positions are optimized for precise tracking in reaction pathways or biological systems, supporting advanced studies in deuterium labeling and isotopic effects.
1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) structure
80156-55-4 structure
Product Name:1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI)
CAS No:80156-55-4
MF:C3H8O2
MW:84.1437149047852
CID:707622
PubChem ID:24871983
Update Time:2025-06-13

1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI)
    • 1,2-Propanediol-d8
    • Propylene glycol-d8
    • 80156-55-4
    • D99559
    • CS-0226245
    • ( inverted exclamation markA)-1,2-Propanediol-d8
    • (+/-)-1,2-Propanediol-d8
    • 1,2-propanediol-d6
    • 1,2-Propanediol-d8, 98 atom % D
    • 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropane
    • (~2~H_6_)Propane-1,2-(~2~H_2_)diol
    • HY-Y0921S
    • DTXSID90583832
    • 1,2-Propanediol-d8; Propylene glycol-d8; 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 (9CI); (+/-)-1,2-Propanediol-d8
    • 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxy-propane
    • MDL： MFCD00142484
    • Inchi： 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D
    • InChI Key： DNIAPMSPPWPWGF-INOGVRQUSA-N
    • SMILES： C([2H])(O[2H])(C([2H])([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: 1
  • Complexity: 20.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.143?g/mL?at 25?°C
  • Melting Point: ?60?°C (lit.)
  • Boiling Point: 187?°C(lit.)
  • Flash Point: Fahrenheit: 224.6 ° f
    Celsius: 107 ° c
  • Refractive Index: n20/D 1.432(lit.)
  • Solubility: Not determined
  • Vapor Pressure: No data available

1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) Security Information

1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA04096-5g
1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI)
 80156-55-4 99% (CP)
5g
 ￥17898.0 2024-07-18
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D874543-10mg
1,2-propanediol-D8
 80156-55-4 98%
10mg
 595.00 2021-05-17
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
486272-5G
1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI)
 80156-55-4
5g
 ￥7875.98 2023-12-05
A2B Chem LLC
AH50768-500mg
1,2-Propanediol-d8
 80156-55-4
500mg
 $303.00 2024-04-19
A2B Chem LLC
AH50768-1g
1,2-Propanediol-d8
 80156-55-4
1g
 $392.00 2024-04-19

1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI) Related Literature

Related Categories

Additional information on 1,2-Propane-1,1,2,3,3,3-d6-diol-d2(9CI)

Research Briefing on 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 (9CI) and Its Applications in Chemical Biology and Medicine

The compound 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 (9CI) (CAS: 80156-55-4) has recently gained significant attention in the field of chemical biology and pharmaceutical research due to its unique isotopic labeling and potential applications in drug discovery and metabolic studies. This research briefing aims to provide an overview of the latest advancements related to this compound, focusing on its synthesis, characterization, and applications in biomedical research.

Recent studies have demonstrated that 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 serves as a valuable deuterated building block for the synthesis of isotopically labeled pharmaceutical compounds. The high degree of deuteration (d6) at specific positions makes this compound particularly useful for metabolic tracing studies and nuclear magnetic resonance (NMR) spectroscopy applications. Researchers have successfully employed this compound in the development of deuterated drug candidates with improved pharmacokinetic properties.

In the area of synthetic chemistry, novel methodologies have been developed for the efficient production of 1,2-Propane-1,1,2,3,3,3-d6-diol-d2. A 2023 study published in the Journal of Labelled Compounds and Radiopharmaceuticals reported an optimized catalytic deuteration process that achieves >98% isotopic purity while maintaining excellent yield. This advancement addresses previous challenges in large-scale production of highly deuterated compounds.

From a biomedical perspective, the compound has shown promise in tracer studies for metabolic pathway analysis. Its unique deuteration pattern allows researchers to track specific metabolic transformations with minimal interference from endogenous compounds. Recent applications include studies on lipid metabolism and glucose homeostasis, where the compound's stability against metabolic exchange has proven particularly valuable.

Pharmaceutical researchers have begun exploring 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 as a precursor for deuterated drug development. The strategic deuteration of drug molecules can significantly alter their metabolic profiles, potentially leading to improved therapeutic efficacy and reduced side effects. Several patent applications filed in 2023-2024 describe the use of this compound in the synthesis of deuterated analogs of existing medications.

Analytical characterization of 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 has benefited from recent advancements in mass spectrometry and NMR techniques. Researchers have developed specialized analytical protocols to verify the positional integrity of deuterium atoms, which is crucial for ensuring the compound's performance in sensitive applications. These methods have also facilitated quality control in commercial production.

Looking forward, the potential applications of 1,2-Propane-1,1,2,3,3,3-d6-diol-d2 appear to be expanding into new areas of research. Preliminary studies suggest its utility in the development of contrast agents for magnetic resonance imaging (MRI) and as a component in specialized drug delivery systems. The compound's unique properties continue to inspire innovative applications across multiple disciplines within chemical biology and medicine.

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