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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:
811-98-3
Molecular Weight:
36.07
UNSPSC Code:
12352104
NACRES:
NA.21
PubChem Substance ID:
24849183
EC Number:
212-378-6
Beilstein/REAXYS Number:
1733278
MDL number:
MFCD00044637
Isotopic purity:
≥99.8 atom % D
Assay:
≥99% (CP)
Form:
liquid

Key Documents

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InChI key

OKKJLVBELUTLKV-MZCSYVLQSA-N

InChI

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

SMILES string

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

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

Quality Level

200

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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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Certificates of Analysis (COA)

Lot/Batch Number
0000526891
0000526892
0000526892
0000524120
0000524120

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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)
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)
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
Cheng-Kun Lin et al.
Organic & biomolecular chemistry, 13(7), 2100-2107 (2014-12-20)
A straightforward synthesis of novel, 2-heterocyclyl polyhydroxylated pyrrolidines is described. Stereocontrolled additions of nucleophiles to cyclic nitrones generated the corresponding 2,3-trans adducts, allowing the synthesis of the corresponding pyrrolidines via key intermediates bearing an alkyne and a nitrile oxide. Three
Jon Kapla et al.
Physical chemistry chemical physics : PCCP, 17(34), 22438-22447 (2015-08-08)
The disaccharide trehalose (TRH) strongly affects the physical properties of lipid bilayers. We investigate interactions between lipid membranes formed by 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and TRH using NMR spectroscopy and molecular dynamics (MD) computer simulations. We compare dipolar couplings derived from DMPC/TRH
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