Cas no 190314-15-9 (Ethanone-1,2-13C2,1-phenyl-)

Ethanone-1,2-13C2,1-phenyl- is a stable isotope-labeled compound featuring 13C enrichment at the 1 and 2 positions of the ethanone moiety. This labeling enhances its utility in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) applications, providing distinct spectral signatures for precise structural elucidation and metabolic studies. The phenyl substituent further extends its applicability in organic synthesis and pharmaceutical research, particularly in tracing reaction pathways or investigating molecular interactions. Its high isotopic purity ensures minimal interference in analytical workflows, making it a reliable standard for quantitative and mechanistic studies. Suitable for use in both academic and industrial settings, this compound offers researchers a robust tool for advanced isotopic labeling experiments.
Ethanone-1,2-13C2,1-phenyl- structure
Ethanone-1,2-13C2,1-phenyl- structure
Product Name:Ethanone-1,2-13C2,1-phenyl-
CAS No:190314-15-9
MF:C8H8O
MW:122.133831977844
CID:115786
PubChem ID:16213368
Update Time:2025-11-02

Ethanone-1,2-13C2,1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Ethanone-1,2-13C2,1-phenyl-
    • ACETOPHENONE, [1,2-13C2]
    • Acetophenone-1,2-13C2
    • 1-phenyl(13C2)ethanone
    • Acetophenone-α,β-13C2
    • ACETOPHENONE-ALPHA,BETA-13C2
    • ACETOPHENONE-1,2-13C2, 99 ATOM % 13C
    • Acetophenone- alpha , beta -13C2
    • J-012285
    • 1-Phenyl(~13~C_2_)ethan-1-one
    • Acetophenone-alpha,beta-13C2, 99 atom % 13C
    • 190314-15-9
    • 1-phenyl(1,2-13C2)ethanone
    • DTXSID20583901
    • CS-0226326
    • Acetophenone-1,2-13c2,99 atom % 13c
    • HY-Y0989S2
    • Inchi: 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1,7+1
    • InChI Key: KWOLFJPFCHCOCG-SPBYTNOZSA-N
    • SMILES: O=[13C]([13CH3])C1C=CC=CC=1

Computed Properties

  • Exact Mass: 122.064224545g/mol
  • Monoisotopic Mass: 122.064224545g/mol
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 101
  • 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: nothing
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.047?g/mL?at 25?°C
  • Melting Point: 19-20?°C(lit.)
  • Boiling Point: 202?°C(lit.)
  • Flash Point: 180?°F
  • Refractive Index: n20/D 1.5325(lit.)
  • Solubility: Not determined

Ethanone-1,2-13C2,1-phenyl- Security Information

  • Hazardous Material transportation number:UN 3334
  • WGK Germany:3
  • Hazard Category Code: 22-36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xn

Ethanone-1,2-13C2,1-phenyl- 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.
487872-250MG
Ethanone-1,2-13C2,1-phenyl-
190314-15-9
250mg
¥5537.21 2023-12-05
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA04399-250mg
Ethanone-1,2-13C2,1-phenyl-
190314-15-9 99% (CP)
250mg
¥7058.0 2024-07-18

Additional information on Ethanone-1,2-13C2,1-phenyl-

Comprehensive Guide to Ethanone-1,2-13C2,1-phenyl- (CAS No. 190314-15-9): Properties, Applications, and Market Insights

Ethanone-1,2-13C2,1-phenyl- (CAS No. 190314-15-9) is a stable isotope-labeled derivative of acetophenone, where the carbon-13 isotopes are incorporated at the 1 and 2 positions. This compound is widely used in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and metabolic research due to its ability to provide precise molecular tracking. The demand for isotope-labeled compounds like Ethanone-1,2-13C2,1-phenyl- has surged in recent years, driven by advancements in pharmaceutical research and diagnostic imaging.

One of the key advantages of Ethanone-1,2-13C2,1-phenyl- is its role in tracer studies. Researchers utilize this compound to investigate metabolic pathways, drug metabolism, and biochemical reactions with high accuracy. The incorporation of carbon-13 isotopes allows for minimal interference with natural biological processes, making it an invaluable tool in life sciences. Additionally, its stability and compatibility with analytical techniques have made it a preferred choice in academic and industrial laboratories worldwide.

The synthesis of Ethanone-1,2-13C2,1-phenyl- involves advanced organic chemistry techniques, ensuring high isotopic purity and chemical integrity. Manufacturers adhere to stringent quality control measures to meet the requirements of pharmaceutical and research applications. As the demand for precision medicine grows, compounds like Ethanone-1,2-13C2,1-phenyl- are becoming increasingly critical in developing targeted therapies and personalized treatment plans.

In the pharmaceutical industry, Ethanone-1,2-13C2,1-phenyl- is used to study the pharmacokinetics and pharmacodynamics of new drug candidates. Its ability to provide clear isotopic signals enhances the understanding of drug absorption, distribution, metabolism, and excretion (ADME). This is particularly relevant in the context of cancer research, where precise tracking of drug metabolites can lead to breakthroughs in oncology treatments.

Beyond pharmaceuticals, Ethanone-1,2-13C2,1-phenyl- finds applications in environmental science and food safety testing. Researchers employ this compound to trace pollutant degradation and assess the authenticity of food products. With increasing concerns about food fraud and environmental contamination, the role of isotope-labeled compounds in ensuring safety and compliance cannot be overstated.

The market for Ethanone-1,2-13C2,1-phenyl- is expected to grow steadily, fueled by rising investments in R&D and the expansion of biotechnology sectors. Companies specializing in isotope chemistry are continuously innovating to improve the accessibility and affordability of such compounds. For researchers and procurement specialists, understanding the specifications and applications of Ethanone-1,2-13C2,1-phenyl- is essential for making informed purchasing decisions.

In summary, Ethanone-1,2-13C2,1-phenyl- (CAS No. 190314-15-9) is a versatile and highly valuable compound in modern scientific research. Its applications span drug development, diagnostics, environmental monitoring, and beyond. As technology advances, the demand for high-purity isotope-labeled compounds like this will only increase, solidifying their role in shaping the future of science and medicine.

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