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452556

Sigma-Aldrich

Ethanol-OD

99 atom % D

Synonym(s):

Ethan(ol-d), Ethyl alcohol-OD

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About This Item

Linear Formula:
C2H5OD
CAS Number:
Molecular Weight:
47.07
Beilstein:
1731246
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

Pricing and availability is not currently available.

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

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1 of 4

This Item
PHR1081PHR1083PHR1155
format

neat

format

neat

format

neat

format

neat

Quality Level

300

Quality Level

300

Quality Level

300

Quality Level

300

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

grade

certified reference material, pharmaceutical secondary standard

storage temp.

2-8°C

storage temp.

2-30°C

storage temp.

2-30°C

storage temp.

2-30°C

agency

traceable to USP 1477900

agency

traceable to USP 1477943

agency

traceable to USP 1477411

agency

traceable to Ph. Eur. O0101000, traceable to USP 1477808

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.[1] The hydrogen bonding in ethanol-d1 has been investigated based on Raman spectral data.[2] The far infrared (FIR) spectrum of ethanol-d1 has been studied using ab initio calculations.[3]

Application

Ethan(ol-d) may be used as a source of deuterium for the deuterium exchange reaction of ethyl acetoacetate.[4]

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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 - closed cup

Flash Point(C)

13 °C - closed cup


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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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