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Merck
CN

550574

Methanol-OD

99 atom % D

Synonym(s):

mono-Deuteromethanol, Methan(ol-d), Methyl alcohol-OD

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About This Item

Linear Formula:
CH3OD
CAS Number:
1455-13-6
Molecular Weight:
33.05
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24879126
EC Number:
215-933-0
Beilstein/REAXYS Number:
1730948
MDL number:
MFCD00044213
Assay:
≥99.00%
Technique(s):
NMR: suitable
Bp:
65.5 °C (lit.)

Key Documents

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Product Name

Methanol-OD, 99 atom % D

InChI key

OKKJLVBELUTLKV-VMNATFBRSA-N

InChI

1S/CH4O/c1-2/h2H,1H3/i2D

SMILES string

[2H]OC

isotopic purity

99 atom % D

assay

≥99.00%

form

liquid

expl. lim.

5.5-36.5 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.0250% water
water

refractive index

n20/D 1.327 (lit.)

bp

65.5 °C (lit.)

mp

-99 °C (lit.)

density

0.813 g/mL at 25 °C (lit.)

mass shift

M+1

Quality Level

100

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Application

Methanol-OD can be used as a deuterated solvent to:
  • Perform APPI HDX MS (atmospheric pressure photoionization hydrogen/deuterium exchange mass spectrometry).
  • Synthesis 1,4-butanediol-D6 (1,4-BD-D6)from 1,4-butanediol-D8.

General description

Methanol-OD is a deuterated form of methanol. It is used as a solvent in NMR-based research and analyses.

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.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

51.8 °F - closed cup

flash_point_c

11.0 °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
MKCV9151
MKCW8144
MKCT0526
MKCQ4632
MKCN4135

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High Resolution Fourier Transform Far Infrared Spectroscopy of CH3OD.
Mukhopadhyay I, et al.
Journal of Molecular Spectroscopy, 186(1), 15-21 (1997)
The Raman Spectra of the Methyl Alcohols, CH3OH, CH3OD, and CH2DOD.
Halford JO, et al.
J. Chem. Phys. , 5(12), 927-932 (1937)
Dehydration of alcohols over alumina. VIII. Ether formation from the deuterated methanols CH3OH, CD3OH, CH3OD, and CD3OD.
Knozinger H, et al.
The Journal of Physical Chemistry, 72(8), 2770-2774 (1968)
Photoionization of CH3OH, CD3OH, and CH3OD: Dissociative ionization mechanisms and ionic structures.
Berkowitz J.
J. Chem. Phys. , 69(7), 3044-3054 (1978)
Deuterium isotope effect on the solvation dynamics of methanol: CH3OH, CH3OD, CD3OH, and CD3OD.
Shirota H, et al.
The Journal of Physical Chemistry, 100.(35), 14575-14577 (1996)
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