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611646

Sigma-Aldrich

Methanol-d4

≥99.8 atom % D, contains 0.05 % (v/v) TMS

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
Beilstein:
1733278
EC Number:
212-378-6
MDL number:
MFCD00044637
UNSPSC Code:
12352104
PubChem Substance ID:
24882064
NACRES:
NA.21

isotopic purity

≥99.8 atom % D

Assay

≥99% (CP)

form

liquid

contains

0.05 % (v/v) TMS

expl. lim.

5.5-36.5 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.025% water
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

mixture

SMILES string

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

InChI

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

InChI key

OKKJLVBELUTLKV-MZCSYVLQSA-N

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General description

Methanol-d4 (CD3OD) is a deuterated NMR solvent containing 0.05% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Absolute infrared absorption intensities of CD3OD have been reported between 8000 and 350cm-1.

Application

Methanol-d4 may be used as a solvent to analyze the rate of exchange of methoxyl group in camphor and norcamphor dimethyl ketals.

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Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Alcohols
Hazardous rank II

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

611646-10G:4548173173634
611646-5X10G-N:
611646-25G:4548173173641
611646-10X25G-N:
611646-VAR:
611646-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Infrared intensities of liquids. XVII. Infrared refractive indices from 8000 to 350 cm-1, absolute integrated absorption intensities, transition moments, and dipole moment derivatives of methan-d3-ol and methanol-d4 at 25?C.
Bertie JE and Zhang SL.
J. Chem. Phys. , 101(10), 8364-8379 (1994)
The Rates of Methoxyl Exchange of Camphor and Norcamphor Dimethyl Ketals in Methanol-d4.
Traylor TG and Perrin CL.
Journal of the American Chemical Society, 88(21), 4934-4942 (1966)
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
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 34-43 (2008-12-25)
For the successful implementation of Distributed Drug Discovery (D(3)) (outlined in the accompanying Perspective), students, in the course of their educational laboratories, must be able to reproducibly make new, high quality, molecules with potential for biological activity. This article reports
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