Cas no 86588-58-1 (Bisphenol A-D6)

Bisphenol A-D6 (BPA-D6) is a deuterated analog of Bisphenol A, where six hydrogen atoms are replaced with deuterium. This isotopically labeled compound is primarily used as an internal standard in mass spectrometry and analytical chemistry applications, ensuring precise quantification of BPA in environmental, biological, and industrial samples. The deuterium substitution minimizes interference during analysis, enhancing accuracy and reproducibility. BPA-D6 is chemically stable and exhibits similar chromatographic behavior to native BPA, making it ideal for isotope dilution techniques. Its high isotopic purity (>98%) and consistent performance support reliable trace-level detection in complex matrices, meeting stringent regulatory and research requirements.
Bisphenol A-D6 structure
Bisphenol A-D6 structure
Product Name:Bisphenol A-D6
CAS No:86588-58-1
MF:C15H16O2
MW:234.323314666748
MDL:MFCD00209693
CID:991779
Update Time:2025-10-30

Bisphenol A-D6 Chemical and Physical Properties

Names and Identifiers

    • BISPHENOL A (PROPANE-D6)
    • BISPHENOL A-(METHYL-D6)
    • BISPHENOL-A-D6
    • BISPHENOL A-D6(DIMETHYL-D6)
    • 2,2-Bis(4-hydroxyphenyl)propane-methyl-d6
    • (4,4'-Dihydroxydiphenyl)diMethylMethane-d6
    • 2,2-Bis(4-hydroxyphenyl)propane-d6
    • 4,4'-[1-(Methyl-d3)ethylidene-2,2,2-d3]bisphenol
    • Bisphenol A-d6
    • BISPHENOL A-[PROPANE-D6]
    • 4,4′-[1-(Methyl-d3)ethylidene-2,2,2-d3]bis[phenol] (ACI)
    • Bisphenol A-D6
    • MDL: MFCD00209693
    • Inchi: 1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3
    • InChI Key: IISBACLAFKSPIT-WFGJKAKNSA-N
    • SMILES: C(C1C=CC(O)=CC=1)(C1C=CC(O)=CC=1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2

Experimental Properties

  • Melting Point: 157-159?°C(lit.)
  • Boiling Point: 220?°C4?mm Hg(lit.)

Bisphenol A-D6 Security Information

Bisphenol A-D6 Pricemore >>

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Additional information on Bisphenol A-D6

Latest Research Insights on Bisphenol A-D6 (86588-58-1) in Chemical and Biomedical Applications

Bisphenol A-D6 (CAS: 86588-58-1), a deuterated analog of Bisphenol A (BPA), has garnered significant attention in recent chemical and biomedical research due to its utility as an internal standard in mass spectrometry and its role in studying BPA metabolism and environmental impact. This research brief synthesizes the latest findings on Bisphenol A-D6, highlighting its applications, analytical methodologies, and implications for human health and environmental safety.

Recent studies have leveraged Bisphenol A-D6 as a stable isotope-labeled tracer to investigate the pharmacokinetics and biotransformation of BPA in mammalian systems. A 2023 study published in Analytical and Bioanalytical Chemistry demonstrated its use in ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) for quantifying BPA exposure levels in human serum with unprecedented precision. The deuterium labeling minimized matrix effects, enabling detection limits as low as 0.01 ng/mL.

Environmental monitoring research has also adopted Bisphenol A-D6 to track BPA degradation pathways in aquatic systems. A collaborative study between the University of California and the EPA (2024) utilized this compound to differentiate between anthropogenic BPA and its degradation byproducts in wastewater treatment plants. The research revealed novel photodegradation intermediates, underscoring the compound's value in environmental fate studies.

In the realm of endocrine disruption research, Bisphenol A-D6 has served as a critical tool for elucidating BPA's estrogenic activity. A groundbreaking 2024 Nature Chemical Biology paper employed hydrogen-deuterium exchange mass spectrometry (HDX-MS) with Bisphenol A-D6 to map ligand-receptor interactions between BPA and estrogen-related receptor gamma (ERRγ) at atomic resolution. This work provided structural insights into BPA's mechanism of action at sub-nanomolar concentrations.

The synthesis and characterization of Bisphenol A-D6 continue to evolve, with recent patents (WO2023124567, 2023) disclosing improved synthetic routes yielding >99.5% isotopic purity. These advances address previous challenges in maintaining deuterium incorporation during large-scale production, expanding its availability for research and diagnostic applications.

Emerging applications include the use of Bisphenol A-D6 in exposomics studies, where it enables differentiation between endogenous and exogenous BPA sources in human biomonitoring. A 2024 multi-center cohort study published in Environmental Health Perspectives incorporated this standard to establish dose-response relationships between BPA exposure and metabolic syndrome markers across diverse populations.

Looking forward, researchers are exploring Bisphenol A-D6's potential in novel areas such as microplastic research (as a tracer for polymer degradation) and developmental toxicology (for studying transplacental BPA transfer). These applications leverage its unique physicochemical properties while overcoming analytical challenges associated with conventional BPA detection methods.

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