Cas no 64502-99-4 (2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD)

2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD is a deuterated phenolic antioxidant designed for enhanced stability and precision in research applications. The incorporation of deuterium (d9 and d2) at key positions improves resistance to oxidative degradation, making it particularly valuable in studies requiring long-term stability under harsh conditions. Its isotopic labeling allows for precise tracking in analytical techniques such as NMR and mass spectrometry, facilitating mechanistic investigations in oxidation processes. The tert-butyl groups provide steric hindrance, further enhancing its antioxidant properties. This compound is suited for high-performance applications in polymer stabilization, lubricants, and pharmaceuticals, where controlled degradation resistance is critical.
2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD structure
64502-99-4 structure
Product Name:2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD
CAS No:64502-99-4
MF:C15H24O
MW:241.479860305786
CID:499856
PubChem ID:16212956
Update Time:2025-06-25

2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD Chemical and Physical Properties

Names and Identifiers

    • Phen-3,5-d2-ol-d,2,6-bis[1,1-di(methyl-d3)ethyl-2,2,2-d3]-4-methyl- (9CI)
    • 2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O- D3
    • 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD
    • 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD1000μg
    • 5-methyl-1,3-bis[2-(?H?)methyl(1,1,1,3,3,3-?H?)propan-2-yl]-2-[(?H)oxy](?H?)benzene
    • 64502-99-4
    • HY-Y0172S
    • CS-0542627
    • Phen-3,5-d2-ol-d, 2,6-bis[1,1-di(methyl-d3)ethyl-2,2,2-d3]-4-methyl- (9CI); Butylhydroxytoluene-d21; d21-2,6-di(tert-butyl)-4-methylphenol; BHT-d21
    • 2,6-di(tert-butyl)-4-methylphenol D21 (BHT D21) 1000 microg/mL in Methanol
    • 2,6-Di(tert-butyl-d9)-4-methyl(phenol-3,5,O-d3), >=98 atom % D, >=98% (CP)
    • 1,5-dideuterio-3-deuteriooxy-2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylbenzene
    • Butylated hydroxytoluene-d21
    • D99065
    • 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD
    • 2,6-Di-tert-butyl-4-methylphenol D21
    • 4-Methyl-2,6-bis[2-(~2~H_3_)methyl(~2~H_6_)propan-2-yl](O-~2~H_3_)phenol
    • DTXSID30583750
    • Inchi： 1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3/i2D3,3D3,4D3,5D3,6D3,7D3,8D,9D/hD
    • InChI Key： NLZUEZXRPGMBCV-YLENQQAOSA-N
    • SMILES： O([2H])C1C(=C([2H])C(C)=C([2H])C=1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 241.314527050g/mol
  • Monoisotopic Mass: 241.314527050g/mol
  • Isotope Atom Count: 21
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 5.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: solid
  • Melting Point: 69-71?°C(lit.)
  • Boiling Point: 265?°C(lit.)
  • Solubility: Not available

2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD Security Information

2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D429486-2.5mg
2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD
 64502-99-4
2.5mg
 $ 58.00 2023-09-07
TRC
D429486-5mg
2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD
 64502-99-4
5mg
 $ 75.00 2023-09-07
TRC
D429486-25mg
2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD
 64502-99-4
25mg
 $ 115.00 2023-09-07
A2B Chem LLC
AG68251-1g
2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3
 64502-99-4 98%
1g
 $1250.00 2024-04-19
1PlusChem
1P00EC8R-1g
2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3
 64502-99-4 98%
1g
 $1210.00 2025-02-27

2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD Related Literature

Additional information on 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2,OD

Comprehensive Analysis of 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD (CAS No. 64502-99-4)

The compound 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD (CAS No. 64502-99-4) is a deuterated derivative of the widely recognized antioxidant 2,6-di-tert-butyl-4-methylphenol (BHT). This isotopically labeled variant has gained significant attention in recent years due to its applications in advanced research, particularly in metabolomics, pharmaceutical stability studies, and deuterium labeling techniques. The incorporation of deuterium atoms (d9 and d2) enhances its utility in mass spectrometry and NMR spectroscopy, making it indispensable for tracking molecular pathways and degradation mechanisms.

One of the most searched topics related to 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD is its role in oxidative stress research. With growing interest in aging and neurodegenerative diseases, scientists are leveraging this compound to study free radical scavenging efficiency. Its deuterated structure provides superior isotopic stability, reducing interference in biological assays. Additionally, the demand for high-purity deuterated compounds has surged in drug development, where precise labeling is critical for ADME studies (Absorption, Distribution, Metabolism, Excretion).

From a synthetic chemistry perspective, the preparation of 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD involves sophisticated deuterium exchange reactions and catalytic deuteration techniques. Researchers often inquire about its solubility in organic solvents like acetonitrile-d3 or DMSO-d6, which are essential for spectroscopic applications. The compound’s thermal stability and resistance to autoxidation also make it a benchmark for evaluating polymer stabilization methods, a hot topic in material science forums.

In the context of green chemistry, users frequently search for eco-friendly alternatives to traditional antioxidants. While 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD itself is not a direct replacement, its study aids in designing sustainable stabilizers with minimized environmental impact. The compound’s isotope effect is another area of interest, as it influences reaction kinetics—a subject widely discussed in physical organic chemistry communities.

For analytical chemists, the detection limits and chromatographic behavior of CAS No. 64502-99-4 are critical. Recent advancements in UHPLC-MS have enabled its quantification at trace levels, addressing queries about its method validation in complex matrices. Furthermore, its non-toxic profile (compared to non-deuterated analogs) aligns with the 3Rs principle (Replacement, Reduction, Refinement) in animal testing alternatives, a trending ethical concern.

In summary, 2,6-Di-(tert-butyl-d9)-4-methylphenol-3,5-d2, OD exemplifies the convergence of isotopic labeling and functional material science. Its versatility spans life sciences, industrial applications, and environmental research, reflecting the compound’s relevance in solving modern scientific challenges. As deuterated chemicals continue to revolutionize research, this compound remains a cornerstone for innovation.

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