• The picture shows a 25 ml bottle filled with deuterated Acetic acid-D4. Synonyms for Acetic acid-D4 is glacial acetic acid, Acetic-d3 acid-d, Tetradeuteroacetic acid, ethanoic acid-d4, ethylic acid-d4. CAS number for the labeled chemical in the bottle is 1186-52-3
  • The picture shows a 2D model of the chemical structure of deuterated Acetic acid-D4. Synonyms for Acetic acid-D4 is glacial acetic acid, Acetic-d3 acid-d, Tetradeuteroacetic acid, ethanoic acid-d4, ethylic acid-d4. CAS number for the labeled chemical on the model is 1186-52-3
  • The picture shows a 3D ball and stick model of the chemical structure of deuterated Acetic acid-D4. Synonyms for Acetic acid-D4 is glacial acetic acid, Acetic-d3 acid-d, Tetradeuteroacetic acid, ethanoic acid-d4, ethylic acid-d4. CAS number for the labeled chemical on the model is 1186-52-3
  • The picture shows a 3D ball and stick model of the chemical structure of deuterated Acetic acid-D4. Synonyms for Acetic acid-D4 is glacial acetic acid, Acetic-d3 acid-d, Tetradeuteroacetic acid, ethanoic acid-d4, ethylic acid-d4. CAS number for the labeled chemical on the model is 1186-52-3
  • Proton (1H) nuclear magnetic resonance (NMR) spectra of solvents with water (H2O) and heavy water (deuterium dioxide, D2O) with carbon dioxide (CO2) derived products. A 18.8 Tesla AvanceIIIHD 800-MHz instrument with a 5 mm TCI CryoProbe. Phenol and dimethyl sulfoxide (DMSO) are used as internal standards and are visible at chemical shifts 2.6 and 7.3 ppm as references. Phenol is used to quantify formate (HCOO-), and DMSO is used to quantify ethanol (C2H5OH), propanol (C3H7OH), and acetate (C2H3O2-).
1 5

CAS: 1186-52-3. Purtiy: 99.9%.

Acetic acid-D4

Acetic acid-D4

38,00 DKK
38,00 DKK 38,00 DKK
Sale Sold out
Taxes included.
Packages size (mL)

Product description

Acetic acid-D4 with a 99,9% chemical purity. Acetic acid-D4 is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

Applications

Solvent in 1H qNMR:

Acetic acid-D4 can be used as a deuterated solvent in quantitative proton nuclear magnetic resonance (1H qNMR) experiments. It provides a stable, high-purity medium for accurately analyzing chemical shifts, splitting patterns, and peak integrals. For example, it can be applied in the purity determination of the compound ofloxacin, ensuring precise quantification by enabling clear peak resolution and stable chemical environments [1].

Internal standard:

Acetic acid-D4 can be used as an internal standard (IS) for gas chromatography-mass spectrometry (GC-MS) analysis. The deuterated form of acetic acid provides a consistent reference point for quantifying short-chain fatty acids (SCFAs) such as acetic acid in biological samples like plasma, serum, feces, and cecal tissues. This method ensures accurate qualitative and quantitative SCFA measurements, critical for studying gut microbiota and their metabolites [2].

Precursor:

Acetate-D3 can be used as a pre cursor to produce methane-D4 [3].

Product details

Details on the product can be found in the table below

General information CAS number labeled 1186-52-3
Linear formula CD3COOD
Molecular formula C2D4O2
Synonyms for substance Acetic-d3 acid-d, Tetradeuteroacetic acid, deuterated ethanoic acid, ethylic acid-d4
EC number labeled 214-693-4
MDL number labeled MFCD00051020
UNSPSC Code 12142200
PubChem Substance ID: 24853967
Bellstein 1748971
Physical properties Molecular weight 64.08 g/mol
Chemical Purity 99.5%
Form Neat
Assay +99%
Refractive index n20/D 1.368 (lit.)
Boiling point 115.5 C
Melting point 15-16 C
Storage Store at room temperature away from light and moisture.
Physical state Liquid
Density 1.119 g/mL at 25 C
Mass shift M+4
Safety Signal Word Danger
Hazard Statements Highly flammable liquid and vapour
Causes severe skin burns and eye damage
Causes serious eye damage.
Analytics SMILES string [2H]OC(=O)C([2H])([2H])[2H]
  InChI 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
  InChI key QTBSBXVTEAMEQO-GUEYOVJQSA-N

References

Selvam, Karnan, et al. Postbiotics. New York, NY: Springer US, 2023. 131-138.
[3] Liu, Jiping, et al. Deuteride Materials (2019): 81-135.

 

 

View full details