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Merck

151947

Methanol-d4

≥99.8 atom % D

Synonym(s):

Methyl-d3 alcohol d, Tetradeuteromethanol

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About This Item

Linear Formula:
CD3OD
CAS Number:
Molecular Weight:
36.07
UNSPSC Code:
12352104
NACRES:
NA.21
PubChem Substance ID:
EC Number:
212-378-6
Beilstein/REAXYS Number:
1733278
MDL number:
Isotopic purity:
≥99.8 atom % D
Assay:
≥99% (CP)
Form:
liquid
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isotopic purity

≥99.8 atom % D

Quality Level

assay

≥99% (CP)

form

liquid

expl. lim.

5.5-36.5 % (lit.)

technique(s)

HPLC: suitable, NMR: suitable

impurities

≤0.025% water

refractive index

n20/D 1.326 (lit.)

bp

65.4 °C (lit.)

mp

-99 °C (lit.)

density

0.888 g/mL at 25 °C (lit.)

format

neat

SMILES string

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

InChI

1S/CH4O/c1-2/h2H,1H3/i1D3,2D

InChI key

OKKJLVBELUTLKV-MZCSYVLQSA-N

Application

Methanol-d4 may have been used as solvent in the nuclear magnetic resonance spectrum analysis for:
  • characterizing phenolic compounds separated from olive oil using high performance liquid chromatography.
  • vanillic acid and 4-hydroxy-3-methoxystyrene formed via biotransformation of Rhodotorula rubra.

Other Notes

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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

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup



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Simple and Hydrolyzable Compounds in Virgin Olive Oil. 3.
Spectroscopic Characterizations of the Secoiridoid Derivatives
Montedoro G, et al.
Journal of Agricultural and Food Chemistry, 41, 2228-2234 (1993)
Mechanisms of ferulic acid conversions to vanillic acid and guaiacol by Rhodotorula rubra
Huang Z, et al.
The Journal of Biological Chemistry, 268(32), 23954-23958 (1993)
Eric M Rosenberg et al.
Cell chemical biology, 26(5), 662-673 (2019-03-05)
The G protein-coupled receptor (GPCR) CXCR4 is a co-receptor for HIV and is involved in cancers and autoimmune diseases. We characterized five purine or quinazoline core polyamine pharmacophores used for targeting CXCR4 dysregulation in diseases. All were neutral antagonists for