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151785

Sigma-Aldrich

Acetic acid-d4

≥99.5 atom % D

Synonym(s):
Acetic-d3 acid-d, Tetradeuteroacetic acid
Linear Formula:
CD3CO2D
CAS Number:
Molecular Weight:
64.08
Beilstein:
1748971
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

vapor density

2.07 (vs air)

Quality Level

vapor pressure

11.4 mmHg ( 20 °C)

isotopic purity

≥99.5 atom % D

assay

≥99% (CP)

form

liquid

autoignition temp.

800 °F

expl. lim.

16 %

technique(s)

NMR: suitable
bio NMR: suitable

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

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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

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

104.0 °F - closed cup

Flash Point(C)

40 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

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