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Merck
CN

233315

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
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24853967
EC Number:
214-693-4
Beilstein/REAXYS Number:
1748971
MDL number:
MFCD00051051
Assay:
≥99% (CP)
Form:
liquid

Key Documents

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InChI key

QTBSBXVTEAMEQO-GUEYOVJQSA-N

InChI

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

SMILES string

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

Quality Level

100

isotopic purity

≥99.9 atom % D

assay

≥99% (CP)

form

liquid

expl. lim.

16 %

impurities

≤0.0500% water
water

refractive index

n20/D 1.368 (lit.)

bp

115.5 °C (lit.)

mp

15-16 °C (lit.)

mass shift

M+4

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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

signalword

Danger

hcodes

H226,H314

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MKDB0718
MKCX0703
MKCW7241
MKCV6153
MKCQ1706

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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)
Synthesis and spectroscopic properties of praseodymium (III) acetate hydrate
Hehlen MP, et al
Inorganic Chemistry, 30(10), 2273-2277 (1991)
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)
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)
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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