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Merck
CN

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

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

Regulatory Information

危险化学品
美国出口管控产品

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Articles

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.

Related Content

默克分享核磁共振波谱法是一种测定样本分子结构和化学成分的分析技术,主要分析自旋原子核和强磁场之间的相互作用。其工作原理是外加静磁场引起分子中的特定原子核选择性吸收射频,通过所吸收的能量诱导核自旋的跃迁并呈现在共振谱上。

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

Widest range of NMR solvents with excellent chemical purity and the highest isotopic enrichment possible.


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



Global Trade Item Number

SKUGTIN
151947-100G04061838739971
151947-10G-AMP04061838739988
151947-10X50G-N04061837649158
151947-1G04061838739995
151947-10G-GL04061837649134
151947-10G-SB04061837649141
151947-10X0.3ML-N04061837613265
151947-1KG04061838252135
151947-25G04061838740007
151947-50G-SB04061838740014
151947-5G04061838740021
151947-50G-GL04061837649165