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Sigma-Aldrich

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:
1859-08-1
Molecular Weight:
51.10
MDL number:
MFCD00144264
UNSPSC Code:
12142201
PubChem Substance ID:
24872474
NACRES:
NA.21

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

SMILES string

[2H]C([2H])([2H])C([2H])([2H])O

InChI

1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2

InChI key

LFQSCWFLJHTTHZ-ZBJDZAJPSA-N

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.

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319

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

Certificates of Analysis (COA)

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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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