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329347

Sigma-Aldrich

Ethanol-2,2,2-d3

99 atom % D

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Synonym(s):
Ethyl alcohol-2,2,2-d3
Linear Formula:
CD3CH2OH
CAS Number:
Molecular Weight:
49.09
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.3611 (lit.)

bp

78 °C (lit.)

density

0.835 g/mL at 25 °C (lit.)

mass shift

M+3

SMILES string

[2H]C([2H])([2H])CO

InChI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3

InChI key

LFQSCWFLJHTTHZ-FIBGUPNXSA-N

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1 of 4

This Item
427047489336186414
Ethanol-2,2,2-d3 99 atom % D

329347

Ethanol-2,2,2-d3

Ethanol-2-13C 99 atom % 13C

427047

Ethanol-2-13C

Ethanol-1,1,2,2,2-d5 99.5 atom % D

489336

Ethanol-1,1,2,2,2-d5

Ethanol-d6 anhydrous, ≥99.5 atom % D

186414

Ethanol-d6

mass shift

M+3

mass shift

M+1

mass shift

M+5

mass shift

M+6

technique(s)

NMR: suitable

technique(s)

-

technique(s)

NMR: suitable

technique(s)

NMR: suitable

isotopic purity

99 atom % D

isotopic purity

99 atom % 13C

isotopic purity

99.5 atom % D

isotopic purity

≥99.5 atom % D

form

liquid

form

liquid

form

liquid

form

liquid

density

0.835 g/mL at 25 °C (lit.)

density

0.801 g/mL at 25 °C

density

0.871 g/mL at 25 °C (lit.)

density

0.892 g/mL at 25 °C

General description

Ethanol-2,2,2-d3 is an isotope-labeled analog of ethanol, wherein methyl protons are replaced by deuterium.

Application

Ethanol-2,2,2-d3 can be used as a deuterated solvent in NMR-based research and analysis.

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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

55.4 °F

flash_point_c

13 °C


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The orientations and dynamics of ethanol guest molecules in the clathrate of Dianin's compound: A 2H-nuclear magnetic resonance single crystal study
Bernhard T, et al.
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