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452556

Sigma-Aldrich

Ethanol-OD

99 atom % D

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Synonym(s):
Ethan(ol-d), Ethyl alcohol-OD
Linear Formula:
C2H5OD
CAS Number:
Molecular Weight:
47.07
Beilstein:
1731246
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

99 atom % D

Assay

99% (CP)

form

liquid

expl. lim.

3.5-15 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.5000% water
water

refractive index

n20/D 1.359 (lit.)

bp

78 °C (lit.)

mp

-114 °C (lit.)

density

0.806 g/mL at 25 °C

mass shift

M+1

SMILES string

[2H]OCC

InChI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D

InChI key

LFQSCWFLJHTTHZ-WFVSFCRTSA-N

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This Item
186414422878611646
Ethanol-OD 99 atom % D

Sigma-Aldrich

452556

Ethanol-OD

Ethanol-d6 anhydrous, ≥99.5 atom % D

Sigma-Aldrich

186414

Ethanol-d6

Methanol-d4 99 atom % D

Sigma-Aldrich

422878

Methanol-d4

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

Sigma-Aldrich

611646

Methanol-d4

form

liquid

form

liquid

form

liquid

form

liquid

expl. lim.

3.5-15 % (lit.)

expl. lim.

3.5-15 % (lit.)

expl. lim.

5.5-36.5 % (lit.)

expl. lim.

5.5-36.5 % (lit.)

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

impurities

≤0.5000% water
water

impurities

-

impurities

≤0.025% water
water

impurities

≤0.025% water
water

refractive index

n20/D 1.359 (lit.)

refractive index

n20/D 1.358 (lit.)

refractive index

n20/D 1.326 (lit.)

refractive index

n20/D 1.326 (lit.)

General description

Ethan(ol-d) (ethanol-d, ethanol-d1) is a deuterated NMR solvent useful in NMR-based research and analyses. It can be prepared by reacting tetraethylorthosilicate with deuterium oxide. The hydrogen bonding in ethanol-d1 has been investigated based on Raman spectral data. The far infrared (FIR) spectrum of ethanol-d1 has been studied using ab initio calculations.

Application

Ethan(ol-d) may be used as a source of deuterium for the deuterium exchange reaction of ethyl acetoacetate.

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Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

55.4 °F

Flash Point(C)

13 °C


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Ab initio determination of the far infrared spectra of some isotopic varieties of ethanol.
Senent ML, et al.
J. Chem. Phys. , 112(13), 5809-5819 (2000)
Deuterium Exchange in Ethyl Acetoacetate: An Undergraduate GC-MS Experiment.
Heinson CD, et al.
Journal of Chemical Education, 82(5), 787-787 (2005)
A quantitative Raman spectroscopic investigation of hydrogen-bonding in ethanol and ethanol-d1.
Spectrochimica Acta Part A: Molecular Spectroscopy.
Edwards HGM, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 45(11), 1165-1171 (1989)
Synthesis of ethanol-d.
Pasto DJ and Meyer GR.
The Journal of Organic Chemistry, 33(3), 1257-1257 (1968)

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