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151785

Sigma-Aldrich

Acetic acid-d4

≥99.5 atom % D

Synonyme(s) :

Acetic-d3 acid-d, Tetradeuteroacetic acid

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About This Item

Formule linéaire :
CD3CO2D
Numéro CAS:
1186-52-3
Poids moléculaire :
64.08
Numéro Beilstein :
1748971
Numéro CE :
214-693-4
Numéro MDL:
MFCD00051051
Code UNSPSC :
12142201
ID de substance PubChem :
24848852
Nomenclature NACRES :
NA.21

Densité de vapeur

2.07 (vs air)

Pression de vapeur

11.4 mmHg ( 20 °C)

Pureté isotopique

≥99.5 atom % D

Pureté

≥99% (CP)

Forme

liquid

Température d'inflammation spontanée

800 °F

Limite d'explosivité

16 %

Technique(s)

NMR: suitable
bio NMR: suitable

Impuretés

≤0.0500% water
water

Indice de réfraction

n20/D 1.368 (lit.)

Point d'ébullition

115.5 °C (lit.)

Pf

15-16 °C (lit.)

Densité

1.119 g/mL at 25 °C (lit.)

Changement de masse

M+4

Chaîne SMILES 

[2H]OC(=O)C([2H])([2H])[2H]

InChI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD

Clé InChI

QTBSBXVTEAMEQO-GUEYOVJQSA-N

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Catégories apparentées

Description générale

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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Pictogrammes

FlameCorrosion
GHS02,GHS05

Mention d'avertissement

Danger

Mentions de danger

H226,H314

Classification des risques

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

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

104.0 °F - closed cup

Point d'éclair (°C)

40 °C - closed cup

Équipement de protection individuelle

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

Certificats d'analyse (COA)

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a-Tocopherol succinate-modified chitosan as a micellar delivery system for paclitaxel: preparation, characterization and in vitro/in vivo evaluations
Liang N, et al.
International Journal of Pharmaceutics, 423(2), 480-488 (2012)
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
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
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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
Dissociation of Acetic Acid-d4 in Deuterium Oxide from 5 to 50? and Related Isotope Effects.
Paabo M, et al.
The Journal of Physical Chemistry, 70(7), 2073-2077 (1966)
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NMR Deuterated Solvent Properties Reference Chart

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.

NMR Deuterated Solvent Properties Reference Chart

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.

NMR Deuterated Solvent Properties Reference Chart

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.

NMR Deuterated Solvent Properties Reference Chart

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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