Cas no 88170-22-3 (Decanoic acid-d19)

Decanoic acid-d19 is a deuterated form of decanoic acid, where 19 hydrogen atoms are replaced by deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise molecular tracking. The compound is particularly valuable in metabolic studies, lipid research, and tracer experiments due to its high isotopic purity and stability. Its chemical properties remain consistent with non-deuterated decanoic acid, ensuring compatibility with standard experimental protocols. Decanoic acid-d19 is synthesized under controlled conditions to minimize isotopic dilution, making it a reliable tool for advanced analytical and investigative applications in biochemistry and pharmaceuticals.
Decanoic acid-d19 structure
Decanoic acid-d19 structure
Product Name:Decanoic acid-d19
CAS No:88170-22-3
MF:C10H20O2
MW:191.381675720215
CID:709252
PubChem ID:16213405
Update Time:2025-06-08

Decanoic acid-d19 Chemical and Physical Properties

Names and Identifiers

    • Decanoic-d19 acid
    • DECANOIC ACID, [D19]
    • Decanoic acid-d19
    • d19-Decanoic acid
    • D98251
    • DTXSID00583929
    • (?H??)decanoic acid
    • (~2~H_19_)Decanoic acid
    • AS-84952
    • 88170-22-3
    • HY-W015309S1
    • DA-72623
    • A935358
    • Decanoic-d19 acid, 98 atom % D, 98% (CP)
    • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecadeuteriodecanoic acid
    • CS-0203928
    • AKOS015915852
    • Inchi: 1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2
    • InChI Key: GHVNFZFCNZKVNT-KIJKOTCYSA-N
    • SMILES: C([2H])([2H])(C([2H])([2H])C([2H])([2H])C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 191.265588049g/mol
  • Monoisotopic Mass: 191.265588049g/mol
  • Isotope Atom Count: 19
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 110
  • 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: 37.3?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.991?g/mL?at 25?°C
  • Melting Point: 30-32?°C(lit.)
  • Boiling Point: 268-270?°C(lit.)
  • Flash Point: 121.8±11.9 °C
  • Solubility: Not determined
  • Vapor Pressure: No data available

Decanoic acid-d19 Security Information

Decanoic acid-d19 Pricemore >>

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Decanoic acid-d19 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Water-d2 Catalysts: Platinum Solvents: Isopropanol ;  24 h, 120 °C; 120 °C → rt
1.2 Reagents: Sodium hydroxide ;  24 h, 70 °C; 70 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  < pH 2, rt
Reference
Mild and Direct Multiple Deuterium-Labeling of Saturated Fatty Acids
Yamada, Tsuyoshi; et al, Advanced Synthesis & Catalysis, 2016, 358(20), 3277-3282

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Water-d2 Catalysts: Platinum ;  9 d, rt → 220 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
Reference
Synthesis of Deuterated and Protiated Triacylglycerides by Using 1,1'-Carbonyldiimidazole Activated Fatty Acids
Schwarzer, Kuno; et al, European Journal of Organic Chemistry, 2023, 26(40),

Decanoic acid-d19 Raw materials

Decanoic acid-d19 Preparation Products

Additional information on Decanoic acid-d19

Professional Introduction to Decanoic acid-d19 (CAS No. 88170-22-3)

Decanoic acid-d19, a deuterated derivative of nonanoic acid, is a compound of significant interest in the field of chemical and pharmaceutical research. With the CAS number 88170-22-3, this molecule has garnered attention due to its unique isotopic properties and potential applications in various scientific domains. The introduction of deuterium atoms into the decanoic acid molecule not only modifies its physical and chemical characteristics but also opens up new avenues for study in areas such as metabolic labeling, drug metabolism, and analytical chemistry.

The structure of Decanoic acid-d19 consists of a nonane backbone with nine carbon atoms, where one or more hydrogen atoms are replaced by deuterium (D). This substitution imparts distinct spectroscopic properties, making it an invaluable tool for researchers seeking high-resolution analytical techniques. Specifically, the deuterated version exhibits a shifted nuclear magnetic resonance (NMR) spectrum, which allows for better resolution and differentiation in complex mixtures. This feature is particularly useful in the study of biological systems where subtle differences in molecular environments can provide critical insights.

In recent years, Decanoic acid-d19 has found applications in the field of metabolomics. Metabolomics involves the comprehensive analysis of small molecules (metabolites) within a biological system, providing a snapshot of cellular processes. The use of deuterated compounds like Decanoic acid-d19 allows researchers to track metabolic pathways with high precision. For instance, studies have demonstrated its utility in monitoring the incorporation of deuterated fatty acids into triglycerides and other lipids, thereby offering insights into lipid metabolism and its regulation.

Furthermore, Decanoic acid-d19 has been employed in the development and validation of mass spectrometry methods for drug metabolism studies. The high mass accuracy provided by deuterated compounds helps in distinguishing between parent drugs and their metabolites, which is crucial for understanding drug efficacy and safety profiles. Recent research has highlighted its role in studying the metabolic fate of novel drug candidates, particularly those with complex structures that undergo multiple transformations within the body.

The pharmaceutical industry has also explored Decanoic acid-d19 as a potential intermediate in the synthesis of more complex molecules. Its stable structure and predictable reactivity make it an attractive candidate for use in multi-step synthetic routes. For example, researchers have utilized Decanoic acid-d19 to develop labeled probes for imaging studies, where its isotopic properties enhance signal detection without interfering with biological processes. This application is particularly relevant in preclinical research aimed at evaluating new therapeutic agents.

From an analytical chemistry perspective, Decanoic acid-d19 serves as an internal standard or reference compound in various analytical techniques. Its well-characterized properties enable researchers to calibrate instruments and validate methods with high confidence. This is especially important in regulatory settings where accurate quantification of substances is essential for compliance with safety and quality standards. The compound's stability under different conditions further enhances its utility as a reliable reference material.

The environmental science sector has also shown interest in Decanoic acid-d19 due to its potential use as a tracer molecule. Studies have investigated its behavior in aquatic systems, where it can help track the movement and degradation of organic compounds. This application is particularly valuable for assessing environmental impact and developing strategies for pollution control. The ability to detect trace amounts of Decanoic acid-d19 using advanced analytical techniques underscores its importance in environmental monitoring.

In conclusion, Decanoic acid-d19 (CAS No. 88170-22-3) is a versatile compound with broad applications across multiple scientific disciplines. Its unique isotopic properties make it an invaluable tool for metabolic studies, drug development, synthetic chemistry, and environmental analysis. As research continues to uncover new uses for deuterated compounds, Decanoic acid-d19 is poised to play an increasingly significant role in advancing scientific understanding and innovation.

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