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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:
925-93-9
Molecular Weight:
47.07
Beilstein:
1731246
EC Number:
213-128-9
MDL number:
MFCD00044669
UNSPSC Code:
12142201
PubChem Substance ID:
24868710
NACRES:
NA.21

isotopic purity

99 atom % D

Quality Level

100

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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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
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品
美国出口管控1C298产品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Synthesis of ethanol-d.
Pasto DJ and Meyer GR.
The Journal of Organic Chemistry, 33(3), 1257-1257 (1968)
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)

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