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151785

Sigma-Aldrich

Acetic acid-d4

≥99.5 atom % D

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Synonym(s):
Acetic-d3 acid-d, Tetradeuteroacetic acid
Linear Formula:
CD3CO2D
CAS Number:
Molecular Weight:
64.08
Beilstein/REAXYS Number:
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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1 of 4

This Item
6950922722533214
vibrant-m

151785

Acetic acid-d4

-
vibrant-m

695092

Acetic acid

-
vibrant-m

27225

Acetic acid

Essential Grade
vibrant-m

33214

Acetic anhydride

-
Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

density

1.119 g/mL at 25 °C (lit.)

density

1.049 g/mL at 25 °C (lit.)

density

1.049 g/mL at 25 °C (lit.)

density

1.08 g/mL (lit.)

bp

115.5 °C (lit.)

bp

117-118 °C (lit.)

bp

117-118 °C (lit.)

bp

138-140 °C (lit.)

form

liquid

form

liquid

form

liquid

form

-

vapor density

2.07 (vs air)

vapor density

2.07 (vs air)

vapor density

2.07 (vs air)

vapor density

3.5 (vs air)

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)

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pictograms

FlameCorrosion

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

104.0 °F - closed cup

flash_point_c

40 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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Reaction of 13N produced by recoil deuterons in pile-irradiated acetic acid-d4 and malonic acid-d4.
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Articles

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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