489336
Ethanol-1,1,2,2,2-d5
99.5 atom % D
Synonym(s):
Ethyl-d5 alcohol
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About This Item
Linear Formula:
CD3CD2OH
CAS Number:
Molecular Weight:
51.10
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12142201
MDL number:
Product Name
Ethanol-1,1,2,2,2-d5, 99.5 atom % D
InChI
1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2
SMILES string
[2H]C([2H])([2H])C([2H])([2H])O
InChI key
LFQSCWFLJHTTHZ-ZBJDZAJPSA-N
isotopic purity
99.5 atom % D
assay
99% (CP)
form
liquid
technique(s)
NMR: suitable
refractive index
n20/D 1.358 (lit.)
bp
78 °C (lit.)
density
0.871 g/mL at 25 °C (lit.)
mass shift
M+5
Quality Level
General description
Ethanol-1,1,2,2,2-d5 (ethyl-d5 alcohol, CD3CD2OH) is deuterated ethyl alcohol. The nuclear magnetic relaxation rates of 13C in 13CCl4 and CD3CD2OH solvent mixture has been determined. The quantification of ethyl-d5 alcohol along with ethyl alcohol in serum by stable isotope gas chromatography-mass spectrometry technique has been reported. It plays a role as a tracer in the time-of-flight secondary ion mass spectrometry (TOF-SIMS) tracer method to assess the boundary lubricating behaviors of boundary lubricating films.
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
危险化学品
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Relative molecular orientation in ethanol-CCl4 mixtures as determined by nuclear magnetic relaxation mesurements.
Langer H, et al.
Chemical Physics Letters, 23(3), 417-421 (1973)
Simultaneous measurement of ethanol and ethyl-d5 alcohol by stable isotope gas chromatography-mass spectrometry.
Dean RA, et al.
Clinical Chemistry, 42(3), 367-372 (1996)
Joon-Bae Lee et al.
Molecules (Basel, Switzerland), 25(1) (2019-12-28)
Methanol is metabolized in the body to highly toxic formaldehyde and formate when consumed accidentally. Methanol has been typically analyzed with gas chromatography-flame ionization detector (GC-FID). However, its retention time may overlap with other volatile compounds and lead to confusion.
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