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416886

Sigma-Aldrich

Acetic acid-d4

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

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Synonym(s):
Acetic-d3 acid-d, Tetradeuteroacetic acid
Linear Formula:
CD3CO2D
CAS Number:
Molecular Weight:
64.08
Beilstein:
1748971
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

vapor density

2.07 (vs air)

Quality Level

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

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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1 of 4

This Item
611646439029417653
Acetic acid-d4 ≥99.5 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

416886

Acetic acid-d4

Methanol-d4 ≥99.8 atom % D, contains 0.05 % (v/v) TMS

Sigma-Aldrich

611646

Methanol-d4

Methanol-d4 ≥99.8 atom % D, contains 0.1 % (v/v) TMS

Sigma-Aldrich

439029

Methanol-d4

Methanol-d4 ≥99.8 atom % D, contains 1 % (v/v) TMS

Sigma-Aldrich

417653

Methanol-d4

vapor pressure

11.4 mmHg ( 20 °C)

vapor pressure

-

vapor pressure

-

vapor pressure

-

assay

≥99.00%

assay

≥99% (CP)

assay

≥99% (CP)

assay

≥99% (CP)

form

liquid

form

liquid

form

liquid

form

liquid

impurities

≤0.0500% water
water

impurities

≤0.025% water
water

impurities

≤0.025% water
water

impurities

≤0.025% water
water

refractive index

n20/D 1.368 (lit.)

refractive index

n20/D 1.326 (lit.)

refractive index

n20/D 1.326 (lit.)

refractive index

n20/D 1.326 (lit.)

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.

Application

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

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Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

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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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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