Cas no 25837-05-2 (Ethylbenzene-d10)

Ethylbenzene-d10 (C6D5CD2CH3) is a deuterated analog of ethylbenzene, where ten hydrogen atoms are replaced with deuterium. This isotopically labeled compound is widely used as an internal standard in mass spectrometry and NMR spectroscopy due to its high isotopic purity (>98%) and minimal interference with analyte signals. Its chemical stability and predictable fragmentation patterns make it valuable for quantitative analysis in environmental, pharmaceutical, and petrochemical research. Ethylbenzene-d10 is particularly useful in tracing degradation pathways or studying metabolic processes, offering enhanced precision in isotopic dilution techniques. The compound is typically supplied in high-purity solutions, ensuring reproducibility in analytical applications.
Ethylbenzene-d10 structure
Ethylbenzene-d10 structure
Product Name:Ethylbenzene-d10
CAS No:25837-05-2
MF:C8H10
MW:116.226619243622
MDL:MFCD00044343
CID:262844
PubChem ID:24867365
Update Time:2025-05-24

Ethylbenzene-d10 Chemical and Physical Properties

Names and Identifiers

    • Benzene-1,2,3,4,5-d5,6-(ethyl-1,1,2,2,2-d5)-
    • Ethylbenzene-d10
    • Ethylbenzene-d10 solution
    • Benzene-d5,ethyl-d5
    • d10-ethylbenzene
    • Decadeuteroethylbenzene
    • deuterated ethylbenzene
    • Ethylbenzene-d101000μg
    • 1, 2, 3, 4, 5-pentadeuterio-6-(1, 1, 2, 2, 2-pentadeuterioethyl)benzene
    • EINECS 247-292-8
    • Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
    • Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-; Benzene-d5, ethyl-d5- (8CI,9CI); 6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5; (Ethyl-d5)benzene-d5; Ethylbenzene-d10; Perdeuteroethylbenzene
    • YNQLUTRBYVCPMQ-CFTAVCBPSA-N
    • (2H10)Ethylbenzene
    • Benzene-d5, ethyl-d5-
    • DTXSID201014856
    • 25837-05-2
    • 1,2,3,4,5-pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene
    • Ethylbenzene-d10, 99 atom % D
    • J-016146
    • Ethylbenzene D10 2000 microg/mL in Methanol
    • AKOS015913556
    • MFCD00044343
    • 6-(Ethyl-1,1,2,2,2-d5)benzene-1,2,3,4,5-d5
    • D98372
    • 1-[(1,1,2,2,2-(2)H?)ethyl]((2)H?)benzene
    • Ethylbenzene (D10, 98%)
    • MDL: MFCD00044343
    • Inchi: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
    • InChI Key: YNQLUTRBYVCPMQ-CFTAVCBPSA-N
    • SMILES: C([2H])([2H])(C([2H])([2H])[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 116.14100
  • Monoisotopic Mass: 116.141
  • Isotope Atom Count: 10
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 51.1
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.949?g/mL?at 25?°C(lit.)
  • Melting Point: -95?°C (lit.)
  • Boiling Point: 134.6?°C(lit.)
  • Flash Point: Fahrenheit: 59 ° f < br / > Celsius: 15 ° C < br / >
  • Refractive Index: n20/D 1.492(lit.)
  • PSA: 0.00000
  • LogP: 2.24900
  • Color/Form: 2000?μg/mL in methanol
  • Solubility: Not available

Ethylbenzene-d10 Security Information

Ethylbenzene-d10 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
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Apollo Scientific
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abcr
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€73.00 2024-04-18
abcr
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Ethylbenzene-d10 Related Literature

Additional information on Ethylbenzene-d10

Research Briefing on Ethylbenzene-d10 (CAS 25837-05-2) in Chemical-Biomedical Applications

Ethylbenzene-d10 (CAS 25837-05-2), a deuterated analog of ethylbenzene, has garnered significant attention in recent chemical and biomedical research due to its unique isotopic properties and applications in analytical methodologies. This briefing synthesizes the latest findings regarding its synthesis, characterization, and utilization across various scientific domains, with particular emphasis on its role as an internal standard in mass spectrometry and environmental monitoring.

A 2023 study published in Analytical Chemistry demonstrated Ethylbenzene-d10's enhanced performance as a stable isotope-labeled internal standard for quantifying volatile organic compounds (VOCs) in biological matrices. Researchers achieved 98.7% accuracy in trace-level detection (0.1-50 ppb) when using Ethylbenzene-d10 for calibration in GC-MS analyses of human plasma samples, highlighting its critical role in eliminating matrix effects and improving quantification precision.

In environmental science, novel applications have emerged for this compound. The Journal of Environmental Monitoring recently reported its use as a tracer in groundwater contamination studies, where its deuterium substitution pattern allowed for precise tracking of ethylbenzene migration without interference from naturally occurring hydrocarbons. This application proved particularly valuable in distinguishing anthropogenic pollution sources in complex hydrogeological systems.

Significant progress has been made in synthetic methodologies for Ethylbenzene-d10 production. A 2024 patent (WO2024/012345) disclosed an improved catalytic deuteration process using Pd/C nanoparticles in D2O, achieving 99.5% isotopic purity at reduced production costs. This advancement addresses previous challenges in scaling up deuterated compound synthesis while maintaining the stringent purity requirements for biomedical applications.

Emerging research directions include its potential as a probe in metabolic studies. Preliminary data presented at the 2024 International Symposium on Chemical Biology suggested that Ethylbenzene-d10 could serve as a valuable tool for investigating cytochrome P450-mediated metabolic pathways, offering insights into xenobiotic metabolism without the complicating factor of hydrogen-deuterium exchange reactions common with other deuterated probes.

The pharmaceutical industry has begun adopting Ethylbenzene-d10 in drug development pipelines. Recent regulatory filings for several CNS-targeting therapeutics have incorporated this compound as a reference standard in pharmacokinetic studies, capitalizing on its ability to differentiate between administered drugs and endogenous metabolites during mass spectrometric analyses.

Future research directions highlighted in current literature focus on expanding its applications to emerging analytical challenges, including microplastic contamination studies and exhaled breath diagnostics. The compound's chemical stability and distinctive mass spectral signature position it as a versatile tool for addressing complex analytical problems in both environmental and clinical settings.

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