Cas no 110510-78-6 (1-Decanol-d21)

1-Decanol-d21 is a deuterated form of 1-decanol, where 21 hydrogen atoms are replaced with deuterium, resulting in a high degree of isotopic labeling. This compound is primarily utilized as a stable isotope-labeled internal standard in mass spectrometry and NMR spectroscopy, ensuring precise quantification and traceability in analytical applications. Its high isotopic purity and chemical stability make it particularly valuable for metabolic studies, environmental analysis, and pharmaceutical research, where accurate detection and differentiation of compounds are critical. The deuterium substitution minimizes interference from endogenous analogs, enhancing analytical sensitivity and reliability in complex matrices.
1-Decanol-d21 structure
1-Decanol-d21 structure
Product Name:1-Decanol-d21
CAS No:110510-78-6
MF:C10H22O
MW:179.410479068756
CID:128837
PubChem ID:101266014
Update Time:2025-11-02

1-Decanol-d21 Chemical and Physical Properties

Names and Identifiers

    • 1-Decan-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-d21-ol
    • N-DECANOL (D21)
    • N-DECYL-D21 ALCOHOL
    • 1-Decanol-d21
    • A935560
    • Decan-d21-1-ol
    • (?H??)decan-1-ol
    • CS-0542312
    • HY-Y1004S2
    • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosadeuteriodecan-1-ol
    • 110510-78-6
    • D98278
    • decanol-d21
    • 1-Decan-d21-ol, 98 atom % D, 98%
    • 1-(2H21)Decanol
    • DA-69346
    • Inchi: 1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
    • InChI Key: MWKFXSUHUHTGQN-SLBGAMDCSA-N
    • SMILES: OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 200.4305
  • Monoisotopic Mass: 179.299
  • Isotope Atom Count: 21
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 8
  • Complexity: 61.9
  • 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: 4.6
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 0.8±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 227.8±3.0 °C at 760 mmHg
  • Flash Point: 101.7±4.6 °C
  • PSA: 20.23
  • LogP: 3.11940
  • Vapor Pressure: No data available

1-Decanol-d21 Security Information

1-Decanol-d21 Pricemore >>

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