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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

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Properties

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
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
InChI key   QTBSBXVTEAMEQO-GUEYOVJQSA-N

Description

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.

Application

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)

Packaging

10×0.5, 10×1 mL in ampule

5, 10, 25, 50 g in glass bottle

Safety & Documentation

Safety Information

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

Articles

NMR Deuterated Solvent Properties Reference Chart

Use the chart below to look up the coupling values — JHD and JCD(JCF) distance between multiplet peaks in hertz (Hz) — and chemical shift delta values — ðH(Mult)b and ðc(Mult)b in parts per million (...
Keywords: Melting, Nuclear magnetic resonance spectroscopy, Solvents

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

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Pressure-Temperature Nomograph Interactive Tool

Use the interactive controls above to simplify calculations and improve the efficiency of your distillation or evaporation requirements.
Keywords: Evaporation, Vaporization

Properties of Solvents Chart

The solvent property charta lists the physical properties of solvents like Acetone, Benzene and Acetic Acid in alphabetical order for easier referencing. Use the solvent chart in the lab to find comm...
Keywords: Green chemistry, Melting, Solvents

Solvent Miscibility Table

Miscibility defines how substances combine (or mix) to form a homogenous solution without precipitates. Miscibility most often refers to liquids but can also apply to gas and solid phases.
Keywords: Calorimetry, Materials Science, PAGE, Pharmaceutical, Semiconductor, Separation, Solvents, Spectroscopy

Peer-Reviewed Papers
15

References

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