151785 Sigma-Aldrich

Acetic acid-d4

≥99.5 atom % D

Synonym: Acetic-d3 acid-d, Tetradeuteroacetic acid

  • CAS Number 1186-52-3

  • Linear Formula CD3CO2D

  • Molecular Weight 64.08

  •  Beilstein/REAXYS Number 1748971

  •  EC Number 214-693-4

  •  MDL number MFCD00051051

  •  PubChem Substance ID 24848852

  •  NACRES NA.21



Related Categories A, Acetic acid-d4, Acids, Acids & Bases, Alphabetical Listings,
Quality Level   100
vapor density   2.07 (vs air)
vapor pressure   11.4 mmHg ( 20 °C)
isotopic purity   ≥99.5 atom % D
assay   ≥99% (CP)
autoignition temp.   800 °F
expl. lim.   16 %
impurities   ≤0.0500% water
refractive index   n20/D 1.368 (lit.)
bp   115.5 °C (lit.)
mp   15-16 °C (lit.)
density   1.119 g/mL at 25 °C (lit.)
mass shift   M+4
SMILES string   [2H]OC(=O)C([2H])([2H])[2H]
InChI   1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD


General description

Acetic acid-d4 (Tetradeuteroacetic acid), a deuterated carboxylic acid, is the tetradeuterated form of acetic acid. Its dissociation constant has been evaluated in deuterium oxide (D2O) by an emf method.


Acetic acid-d4 has been used as a deuterated solvent for the dissolution of internal standard in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments.
Acetic acid-d4 may also be used as a deuterated solvent in the 1H NMR spectral studies of the following:
• CB2, a CNBr peptide
• α - tocopherol succinate hydrophobically modified chitosan(CS-TOS)


10×0.5, 10×1 mL in ampule

5, 10, 25, 50 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Hazard statements 
Precautionary statements 
UN 2789PSN1 3(8) / PGII
WGK Germany 
Flash Point(F) 
104.0 °F - closed cup
Flash Point(C) 
40 °C - closed cup
Protocols & Articles


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