151904
Ethanol-OD
≥99.5 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
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
213-128-9
Beilstein/REAXYS Number:
1731246
MDL number:
Assay:
≥99.00%
Technique(s):
NMR: suitable
Bp:
78 °C (lit.)
InChI key
LFQSCWFLJHTTHZ-WFVSFCRTSA-N
InChI
1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D
SMILES string
[2H]OCC
isotopic purity
≥99.5 atom % D
assay
≥99.00%
form
liquid
expl. lim.
3.5-15 % (lit.)
technique(s)
NMR: suitable
impurities
≤0.1000% 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
Quality Level
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General description
Ethan(ol-d) (Ethanol-OD) is a deuterated ethanol in which the proton of OH group has been replaced by the deuterium (D) atom. It is a deuterium labeled solvent. It serves as a model compound for the Raman spectrometric evaluation of the fine structure of the OX (X = H, D) stretching vibrational profile arising from rotational isomerism. Triethylorthocarbonate has been employed as a precursor for the preparation of high isotopic purity ethanol-OD.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
55.4 °F - closed cup
flash_point_c
13 °C - closed cup
Regulatory Information
美国出口管控产品
危险化学品
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The origin of the triplet structure of the OD stretching vibrational Raman profile of ethanol-OD in the gas phase.
Schiel D and Richter W.
Chemical Physics Letters, 166(1), 82-86 (1990)
Synthesis of ethanol-d.
Pasto DJ and Meyer GR.
The Journal of Organic Chemistry, 33(3), 1257-1257 (1968)
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