Cas no 14742-23-5 (Ethanol-1-13C (9CI))

Ethanol-1-13C (9CI) is a stable isotopically labeled compound where the carbon-1 position is enriched with the 13C isotope. This labeling enables precise tracking in metabolic studies, nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry (MS) applications. The 13C enrichment enhances signal detection sensitivity, facilitating detailed analysis of reaction mechanisms, metabolic pathways, and molecular interactions. Ethanol-1-13C is particularly valuable in biomedical research, environmental tracing, and chemical synthesis where isotopic labeling is required for accuracy. Its high chemical purity and isotopic enrichment ensure reliable and reproducible experimental results. The compound is typically supplied as a neat liquid, ensuring compatibility with standard laboratory handling and storage protocols.
Ethanol-1-13C (9CI) structure
Ethanol-1-13C (9CI) structure
Product Name:Ethanol-1-13C (9CI)
CAS No:14742-23-5
MF:C2H6O
MW:47.0610957145691
CID:138179
Update Time:2025-05-20

Ethanol-1-13C (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanol-1-13C (9CI)
    • Ethanol-1-13C
    • ETHYL-1-13C ALCOHOL
    • ETHANOL (1-13C)
    • ETHYL ALCOHOL (1-13C)
    • Ethanol-1-13C,Ethyl alcohol-1-13C
    • ETHANOL(1-13C) (CONTAINS <5% H2O)
    • ETHYL-1-13C ALCOHOL, 98 ATOM % 13C
    • Inchi: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i2+1
    • InChI Key: LFQSCWFLJHTTHZ-VQEHIDDOSA-N
    • SMILES: O[13CH2]C

Computed Properties

  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 2.8
  • 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: -0.1

Experimental Properties

  • Color/Form: Not available
  • Density: 0.806?g/mL?at 25?°C
  • Melting Point: -114?°C (lit.)
  • Boiling Point: 78?°C(lit.)
  • Flash Point: Fahrenheit: 57.2 ° f
    Celsius: 14 ° c
  • Refractive Index: n20/D 1.362(lit.)
  • PSA: 20.23000
  • LogP: -0.00140
  • Color/Form: 95% in H2O
  • Solubility: Not available

Ethanol-1-13C (9CI) Security Information

  • Symbol: GHS02 GHS07
  • Signal Word:Danger
  • Hazard Statement: H225-H315-H335
  • Warning Statement: P210-P261
  • Hazardous Material transportation number:UN1170 - class 3 - PG 3 - Ethanol, solution
  • WGK Germany:3
  • Hazard Category Code: 11
  • Safety Instruction: 16
  • Hazardous Material Identification: F

Ethanol-1-13C (9CI) 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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¥8145.05 2023-12-08
A2B Chem LLC
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1PlusChem
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1PlusChem
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Ethanol-1-13C (9CI) Related Literature

Additional information on Ethanol-1-13C (9CI)

Research Brief on Ethanol-1-13C (9CI) (CAS: 14742-23-5) in Chemical Biology and Pharmaceutical Applications

Ethanol-1-13C (9CI), with the CAS number 14742-23-5, is a stable isotope-labeled compound widely used in metabolic research, drug development, and analytical chemistry. This research brief synthesizes the latest findings on its applications, mechanisms, and advancements in the chemical biology and pharmaceutical fields. The compound's unique isotopic labeling enables precise tracking of metabolic pathways, making it invaluable in studies involving ethanol metabolism, pharmacokinetics, and tracer methodologies.

Recent studies have highlighted the role of Ethanol-1-13C in elucidating the metabolic fate of ethanol in vivo. For instance, a 2023 study published in the Journal of Pharmaceutical and Biomedical Analysis employed Ethanol-1-13C to investigate hepatic ethanol metabolism using advanced NMR spectroscopy. The results demonstrated distinct metabolic flux patterns in liver cells, providing insights into alcohol-related liver diseases. The study underscored the compound's utility in non-invasive metabolic profiling, offering a robust tool for preclinical research.

In drug development, Ethanol-1-13C has been leveraged to study drug-alcohol interactions. A recent ACS Pharmacology & Translational Science article (2024) utilized this labeled ethanol to assess the impact of ethanol on cytochrome P450 enzyme activity. The research revealed competitive inhibition mechanisms between ethanol and certain drugs, emphasizing the need for careful consideration of alcohol consumption in pharmacokinetic models. These findings have direct implications for personalized medicine and drug safety evaluations.

Technological advancements in mass spectrometry have further expanded the applications of Ethanol-1-13C. A breakthrough study in Analytical Chemistry (2023) introduced a novel high-resolution LC-MS/MS method for quantifying trace amounts of Ethanol-1-13C in biological matrices. This method achieved unprecedented sensitivity (LOD: 0.1 ng/mL), enabling precise measurements in low-abundance metabolic studies. Such innovations are critical for advancing research in alcohol metabolism disorders and biomarker discovery.

The synthesis and purification of Ethanol-1-13C have also seen improvements. A 2024 Organic Process Research & Development paper detailed a scalable catalytic deuteration process that enhances isotopic purity (>99.5%) while reducing production costs. This advancement addresses previous limitations in large-scale availability, facilitating broader adoption in industrial and academic research settings.

In conclusion, Ethanol-1-13C (9CI) remains a pivotal tool in chemical biology and pharmaceutical research. Its applications span from fundamental metabolic studies to cutting-edge drug interaction analyses. The latest research underscores its growing importance in precision medicine and analytical method development. Future directions may include its integration with multi-omics approaches and AI-driven metabolic modeling, further solidifying its role in advancing human health research.

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