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151785

Sigma-Aldrich

Acetic acid-d4

≥99.5 atom % D

Synonym(s):

Acetic-d3 acid-d, Tetradeuteroacetic acid

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About This Item

Linear Formula:
CD3CO2D
CAS Number:
1186-52-3
Molecular Weight:
64.08
Beilstein:
1748971
EC Number:
214-693-4
MDL number:
MFCD00051051
UNSPSC Code:
12142201
PubChem Substance ID:
24848852
NACRES:
NA.21

vapor density

2.07 (vs air)

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)

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Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Ariel Bier et al.
Nutrients, 12(1) (2020-01-17)
High fructose consumption is one of the hallmarks of Western diets and has been found to induce MeS symptoms in parallel to gut microbial dysbiosis. However, the causality between those two is still elusive. Here, we studied whether a significant
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Liang N, et al.
International Journal of Pharmaceutics, 423(2), 480-488 (2012)
H Onodera et al.
Natural toxins, 5(4), 146-151 (1997-01-01)
Along with decarbamoylsaxitoxin and decarbamoylgonyautoxin-2 and -3, six new saxitoxin analogues were isolated from the freshwater mat-forming filamentous cyanobacterium Lyngbya wollei collected from Guntersville Reservoir on the Tennessee River in Alabama. Their structures were determined by electrospray ionization mass spectrometry
Ariel Bier et al.
Nutrients, 10(9) (2018-08-26)
Emerging data indicate a correlation between gut microbial composition and cardiovascular disease including hypertension. The host's diet greatly affects microbial composition and metabolite production. Short chain fatty acids (SCFAs) are products of microbial fermentation, which can be utilized by the
Conformational study of a collagen peptide by 1H NMR spectroscopy: observation of the 14N-1H spin-spin coupling of the Arg guanidinium moiety in the triple-helix structure.
Consonni R, et al.
Febs Letters, 436(2), 243-246 (1998)
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NMR Deuterated Solvent Properties Reference Chart

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