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Merck
CN

186414

Ethanol-d6

anhydrous, ≥99.5 atom % D

Synonym(s):

Ethyl alcohol-d6, Ethyl-d5 alcohol-d, Hexadeuteroethanol

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About This Item

Linear Formula:
CD3CD2OD
CAS Number:
1516-08-1
Molecular Weight:
52.11
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24851220
EC Number:
216-162-2
Beilstein/REAXYS Number:
1699096
MDL number:
MFCD00051020
Isotopic purity:
≥99.5 atom % D
Assay:
≥99% (CP)
Mass shift:
M+6
Form:
liquid

Key Documents

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Product Name

Ethanol-d6, anhydrous, ≥99.5 atom % D

InChI key

LFQSCWFLJHTTHZ-LIDOUZCJSA-N

InChI

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

SMILES string

[2H]OC([2H])([2H])C([2H])([2H])[2H]

grade

anhydrous

isotopic purity

≥99.5 atom % D

assay

≥99% (CP)

form

liquid

expl. lim.

3.5-15 % (lit.)

technique(s)

NMR: suitable

refractive index

n20/D 1.358 (lit.)

bp

78 °C (lit.)

mp

-130 °C (lit.)

density

0.892 g/mL at 25 °C

mass shift

M+6

Quality Level

200

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General description

Ethanol-d6 is a deuterated derivative of ethanol. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical).

Application

Ethanol-d6 may be used as a solvent for the tributylphosphine (PBu3) induced 5-exo cyclization of an o-alkynoylphenol to form deuterated aurone.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H319

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
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBF1590
MBBD9630
MBBF0399
MBBD8021
MBBD6679

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An Efficient Synthesis of Aurone Derivatives by the Tributylphosphine-catalyzed Regioselective Cyclization of o-Alkynoylphenols.
Saito K, et al.
Chemistry Letters (Jpn), 44(2), 141-143 (2015)

Articles

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

Validation of a Simple Method for the Alcohol Content in Kombucha Tea by Headspace SPME and GC-MS

Development and validation of a headspace SPME and GC-MS method to determine alcohol content in twenty different Kombucha tea samples.

Protocols

GC/MS Analysis of Ethanol in Low Alcohol Beer on SUPELCOWAX® 10 after Headspace SPME using a 100 µm PDMS Fiber

GC/MS Analysis of Ethanol in Low Alcohol Beer on SUPELCOWAX® 10 after Headspace SPME using a 100 μm PDMS Fiber

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