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233315

Sigma-Aldrich

Acetic acid-d4

≥99.9 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:
24853967
NACRES:
NA.21

vapor density

2.07 (vs air)

vapor pressure

11.4 mmHg ( 20 °C)

isotopic purity

≥99.9 atom % D

Assay

≥99% (CP)

form

liquid

autoignition temp.

800 °F

expl. lim.

16 %

technique(s)

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 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Application

Acetic acid-d4 may be used in the synthesis of deuterated (7E,9Z)-CLA (conjugated linoleic acid) and Pr(CD3COO)3.D2O (deuterium analog of praseodymium (III) acetate hydrate).

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Legal Information

ChemisTwin is a registered trademark of Merck KGaA, Darmstadt, Germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL9816
MKCJ7146
MKCC6183
MKBW4496V
MKBT4613V

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Synthesis and spectroscopic properties of praseodymium (III) acetate hydrate
Hehlen MP, et al
Inorganic Chemistry, 30(10), 2273-2277 (1991)
Reaction of 13N produced by recoil deuterons in pile-irradiated acetic acid-d4 and malonic acid-d4.
Sensui Y, et al.
J. Radioanal. Nucl. Chem., 118(1), 23-31 (1987)
Stereocontrolled synthesis of (7E, 9Z)-[9, 10-2H]-conjugated linoleic acid.
Broustal G and Loreau O.
Journal of Labelled Compounds & Radiopharmaceuticals, 47(12), 875-880 (2004)
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)
Using high-performance quantitative NMR (HP-qNMR?) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties< 0.1%.
Weber M, et al.
Accreditation and Quality Assurance, 18(2), 91-98 (2013)

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