452556
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/REAXYS Number:
1731246
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21
assay:
99% (CP)
technique(s):
NMR: suitable
bp:
78 °C (lit.)
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isotopic purity
99 atom % D
Quality Level
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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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk_germany
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.
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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