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Merck
CN

416886

Acetic acid-d4

≥99.5 atom % D, contains 0.03 % (v/v) TMS

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:
24866081
EC Number:
214-693-4
Beilstein/REAXYS Number:
1748971
MDL number:
MFCD00051051
Assay:
≥99.00%
Form:
liquid

Key Documents

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Product Name

Acetic acid-d4, ≥99.5 atom % D, contains 0.03 % (v/v) TMS

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]

vapor density

2.07 (vs air)

vapor pressure

11.4 mmHg ( 20 °C)

isotopic purity

≥99.5 atom % D

assay

≥99.00%

form

liquid

autoignition temp.

800 °F

contains

0.03 % (v/v) TMS

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

Quality Level

100

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Application

Acetic acid-d4 may be used in the synthesis of deuterated (7E, 9Z) CLA (conjugated linoleic acid).

General description

Acetic acid-d4 (deuterated acetic acid) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its dissociation constant in deuterium oxide has been obtained over a range of temperature by emf method.

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ0716
MKCV8541
MKCX1055
MKCS9358
MKCQ0118

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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)

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