Cas no 95537-93-2 (Anisaldehyde-13C)

Anisaldehyde-13C is a stable isotope-labeled analog of anisaldehyde, where the carbonyl carbon is replaced with carbon-13 (13C). This compound is primarily used as an internal standard in quantitative mass spectrometry and NMR spectroscopy, ensuring high accuracy in trace analysis due to its isotopic purity. Its consistent chemical properties, identical to unlabeled anisaldehyde except for the 13C substitution, minimize analytical interference. Anisaldehyde-13C is valuable in metabolic studies, flavor/fragrance research, and pharmaceutical applications where precise quantification is critical. The labeled carbonyl group enhances detection sensitivity, making it ideal for isotope dilution techniques in complex matrices.
Anisaldehyde-13C structure
Anisaldehyde-13C structure
Product Name:Anisaldehyde-13C
CAS No:95537-93-2
MF:C8H8O2
MW:137.140577316284
CID:827239
PubChem ID:46780458
Update Time:2025-06-09

Anisaldehyde-13C Chemical and Physical Properties

Names and Identifiers

    • ANISALDEHYDE-[7-13C]
    • Anisaldehyde-13C
    • ANISALDEHYDE-[7-13C],COLOURLESS OIL
    • [13C]-p-anisaldehyde
    • <7-13C>anisaldehyde
    • <formyl-13C>anisaldehyde
    • 4-Anisaldehyde-13C
    • 4-methoxy-[carbonyl-(13)C]benzaldehyde
    • Anisaldehyde 13C
    • Anisic Aldehyde-13C
    • Aubepine-13C
    • Crategine-13C
    • Obepin-13C
    • p-Anisaldehyde-13C
    • p-Anisic Aldehyde-13C
    • p-Formylanisole-13C
    • p-methoxybenzaldehyde (labelled)
    • 4-Methoxybenzaldehyde-formyl-13C (ACI)
    • 4-Methoxy(formyl-~13~C)benzaldehyde
    • 95537-93-2
    • AKOS030255207
    • DTXSID30675629
    • Inchi: 1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i6+1
    • InChI Key: ZRSNZINYAWTAHE-PTQBSOBMSA-N
    • SMILES: [13CH](C1C=CC(OC)=CC=1)=O

Computed Properties

  • Exact Mass: 137.05600
  • Monoisotopic Mass: 137.056
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 104
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 1.088
  • Melting Point: N/A
  • Refractive Index: 1.547
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 26.30000
  • LogP: 1.50770

Anisaldehyde-13C Security Information

  • Storage Condition:-20?C Freezer

Anisaldehyde-13C Pricemore >>

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Anisaldehyde-13C Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron
Reference
Kinetic Isotope Effects in Cycloreversion of Rhenium (V) Diolates
Gable, Kevin P.; Zhuravlev, Fedor A., Journal of the American Chemical Society, 2002, 124(15), 3970-3979

Production Method 2

Reaction Conditions
1.1 Reagents: Magnesium
Reference
Ruthenium-Catalyzed Aromatization of Aromatic Enynes via the 1,2-Migration of Halo and Aryl Groups: A New Process Involving Electrocyclization and Skeletal Rearrangement
Shen, Hung-Chin; Pal, Sitaram; Lian, Jian-Jou; Liu, Rai-Shung, Journal of the American Chemical Society, 2003, 125(51), 15762-15763

Production Method 3

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Dichloromethane ,  Toluene ;  2 h, -78 °C; -78 °C → rt; 4 h, rt
1.2 Reagents: Potassium sodium tartrate ;  30 min, rt
Reference
Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes
Shiba, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro, Journal of the American Chemical Society, 2013, 135(37), 13636-13639

Production Method 4

Reaction Conditions
1.1 Reagents: Acetic anhydride ,  Sodium formate Catalysts: Palladium diacetate ,  CataCXium A Solvents: Dimethylformamide ;  1 h, 30 °C
1.2 Reagents: Triethylamine ;  16 h, 110 °C
Reference
Convenient Palladium-Catalyzed Reductive Carbonylation of Aryl Bromides Under Gas-Free Conditions
Ying, Jun; Fu, Lu-Yang; Zhou, Chao; Qi, Xinxin; Peng, Jin-Bao; et al, European Journal of Organic Chemistry, 2018, 2018(22), 2780-2783

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium carbonate ,  Triethylsilane Catalysts: 1,4-Bis(diphenylphosphino)butane ,  Palladium, bis(acetonitrile)dichloro- Solvents: Dimethylformamide ;  20 bar, rt; 20 h, 20 bar, 100 °C; 100 °C → rt
Reference
Palladium-catalyzed carbonylations of aryl bromides using paraformaldehyde. Synthesis of aldehydes and esters
Natte, Kishore; Dumrath, Andreas; Neumann, Helfried; Beller, Matthias, Angewandte Chemie, 2014, 53(38), 10090-10094

Production Method 6

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride
Reference
The Vilsmeier reaction of fully conjugated carbocycles and heterocycles
Jones, Gurnos; Stanforth, Stephen P., Organic Reactions (Hoboken, 1997, 49,

Anisaldehyde-13C Raw materials

Anisaldehyde-13C Preparation Products

Additional information on Anisaldehyde-13C

Anisaldehyde-13C: A Comprehensive Guide to the Isotopically Labeled Flavor Compound (CAS No. 95537-93-2)

In the realm of analytical chemistry and flavor research, Anisaldehyde-13C (CAS No. 95537-93-2) has emerged as a critical tool for scientists seeking precision in isotopic labeling studies. This 13C-labeled variant of 4-methoxybenzaldehyde is widely utilized in mass spectrometry, metabolic pathway tracing, and fragrance formulation. With the growing demand for stable isotope-labeled compounds in pharmaceuticals and food science, Anisaldehyde-13C offers unparalleled accuracy in quantifying molecular interactions.

The compound’s structure features a carbon-13 isotope at the aldehyde group, enhancing its detectability in GC-MS and LC-MS analyses. Researchers frequently search for "Anisaldehyde-13C synthesis" or "CAS 95537-93-2 applications," reflecting its relevance in isotope dilution assays. Recent trends also highlight its role in natural product authentication, addressing consumer concerns about food adulteration and essential oil purity.

From a commercial perspective, Anisaldehyde-13C is pivotal in flavor and fragrance industries, where it aids in differentiating synthetic vs. natural components. SEO-driven queries like "buy Anisaldehyde-13C high purity" or "13C-labeled benzaldehyde derivatives" underscore its market demand. The compound’s non-toxic profile aligns with global shifts toward green chemistry, making it a preferred choice for sustainable research.

Beyond analytics, Anisaldehyde-13C is explored in nutraceutical studies, particularly in tracking phenylpropanoid metabolism. Its compatibility with NMR spectroscopy further expands its utility in structural elucidation. As labs prioritize reproducible data, this isotopologue’s stability ensures minimal interference in complex matrices—answering frequent search queries like "best internal standard for aldehydes."

Regulatory compliance is another hotspot. While Anisaldehyde-13C isn’t classified as hazardous, its handling follows ISO 9001 standards, a detail often searched alongside "CAS 95537-93-2 safety data." The compound’s shelf life and storage conditions (e.g., "Anisaldehyde-13C stability in DMSO") are equally critical for procurement teams.

In summary, Anisaldehyde-13C (CAS No. 95537-93-2) bridges gaps between analytical precision and industrial applications. Its integration into foodomics and pharmacokinetics studies positions it as a future-proof reagent, resonating with today’s emphasis on traceability and molecular transparency.

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