Cas no 1859-08-1 (Ethanol-d5)

Ethanol-d5 (C2D5OH) is a deuterated form of ethanol, where five hydrogen atoms are replaced with deuterium. This isotopically labeled compound is widely used as a solvent and internal standard in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and kinetic studies. Its high isotopic purity (>98%) ensures minimal interference from proton signals, enhancing analytical precision. Ethanol-d5 is also valuable in mechanistic research, metabolic studies, and pharmaceutical applications where deuterium labeling is required. The compound exhibits similar physicochemical properties to standard ethanol but provides distinct spectral characteristics due to deuterium substitution. It is typically supplied in anhydrous form to maintain stability and prevent isotopic exchange.
Ethanol-d5 structure
Ethanol-d5 structure
Product Name:Ethanol-d5
CAS No:1859-08-1
MF:C2H6O
MW:51.0992493629456
MDL:MFCD00144264
CID:118153
PubChem ID:24872474
Update Time:2025-05-28

Ethanol-d5 Chemical and Physical Properties

Names and Identifiers

    • Ethan-d5-ol (9CI)
    • Ethanol-d5
    • Alcohol-d5
    • Algrain-d5
    • Anhydrol-d5
    • Bioethanol-d5
    • C-deuterated ethyl alcohol
    • deuterated ethanol
    • Ethanol-1,1,2,2,2-d5
    • Ethicap-d5
    • Ethyl-d5 alcohol
    • Hinetoless-d5
    • Sekundasprit-d5
    • Lux-d5
    • CDA 19-d5
    • GerM-X-d5
    • IMS 99-d5
    • Jaysol-d5
    • SDA 3A-d5
    • Tecsol-d5
    • J-011921
    • (H)ethan-1-ol
    • 1,1,2,2,2-pentadeuterioethanol
    • DTXSID20480249
    • d5-ethanol
    • D99172
    • (?H?)ethan-1-ol
    • AKOS015915652
    • 1859-08-1
    • EINECS 270-698-1
    • 68476-78-8
    • Ethanol-1,1,2,2,2-d5, 99.5 atom % D
    • ((2)H)ethan-1-ol
    • LFQSCWFLJHTTHZ-ZBJDZAJPSA-N
    • MDL: MFCD00144264
    • Inchi: 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2
    • InChI Key: LFQSCWFLJHTTHZ-ZBJDZAJPSA-N
    • SMILES: OC([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 51.07320
  • Monoisotopic Mass: 51.073248540g/mol
  • Isotope Atom Count: 5
  • 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
  • Topological Polar Surface Area: 20.2?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.871?g/mL?at 25?°C(lit.)
  • Boiling Point: 78?°C(lit.)
  • Flash Point: Degrees Fahrenheit:48.2°F
    Degrees Celsius:9°C
  • Refractive Index: n20/D 1.358(lit.)
  • PSA: 20.23000
  • LogP: -0.00140
  • Solubility: Not determined

Ethanol-d5 Security Information

Ethanol-d5 Pricemore >>

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Ethanol-d5 Production Method

Ethanol-d5 Related Literature

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