Methanol-d4

Base Information

• Chemical Name: Methanol-d4
• CAS No.: 811-98-3
• Molecular Formula: CD4O
• Molecular Weight: 36.0104
• Hs Code.: 28459000
• European Community (EC) Number: 212-378-6
• DSSTox Substance ID: DTXSID801010038
• Nikkaji Number: J193.190C
• Wikipedia: Deuterated_methanol
• Wikidata: Q1100804
• Mol file: 811-98-3.mol

Synonyms:Methanol-d4;811-98-3;Tetradeuteromethanol;Methan-d3-ol-d;Perdeuteromethanol;Methyl Alcohol-d4;(2H4)Methanol;trideuterio(deuteriooxy)methane;Methyl-d3 alcohol d;CD3OD;Methanol D4;EINECS 212-378-6;methyl-d3 alcohol-d;MFCD00044637;Methanol-d4, 99.8 atom % D;Methanol-d4, >=99.8 atom % D;Deuterated methanol;Methanol-d4, "100%", 99.96 atom % D;Methyl-d3 alcohol-d, cont. 0.03 v/v% TMS;Methanol-d4, >=99.8 atom % D, contains 0.03 % (v/v) TMS;Methyl Alcohol D4;((2)H4)methanol;CD4O;METHANOL (D4);Methyl-12C,d3 alcohol-d;Methanol-D4 >99.5%;trideuterio deuteriooxy methane;Methanol-d4, 99 atom % D;((2)H3)methan((2)H)ol;C-D4-O;CHEBI:156265;DTXSID801010038;MFCD08460912;AKOS015917660;CS-T-57790;M1869;M1888;Methanol D4 >99.8%(+0.03% TMS);Methanol-D4 >99.5% (+ 0.03%TMS);Methanol-d4, >=99.8 atom % D, anhydrous;Methanol-d4, anhydrous, >=99.8 atom % D;Q1100804;Methanol-12C,d4, 99.95 atom % 12C, 99.8 atom % D;Methanol-d4, >=99.8 atom % D, contains 0.1 % (v/v) TMS;Methanol-d4, >=99.8 atom % D, contains 1 % (v/v) TMS;Methanol-d4, 99.8 atom % D, contains 0.03 % (v/v) TMS;Methanol-d4, reagent grade, >=99 atom % D, >=99% (CP);Methanol-d4, "100%", >=99.96 atom % D, >=99% (CP);Methanol-d4, >=99.8 atom % D, contains 0.05 % (v/v) TMS;Methanol-d4, "100%", >=99.96 atom % D, contains 0.03 % (v/v) TMS

Chemical Property of Methanol-d4

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 265mmHg at 25°C
• Melting Point: -99 °C
• Refractive Index: n20/D 1.326(lit.)
• Boiling Point: 48.1 °C at 760 mmHg
• Flash Point: 11.1 °C
• PSA: 20.23000
• Density: 0.847 g/cm³
• LogP: -0.39150
• Storage Temp.: Flammables area
• Water Solubility.: Miscible with water, ethanol, ether, acetone and chloroform.
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 36.051321731
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

98% ^*data from raw suppliers

Methyl Alcohol-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CO
• Isomeric SMILES: [2H]C([2H])([2H])O[2H]
• Uses: Methanol-d4 may be used as a solvent to analyze the rate of exchange of methoxyl group in camphor and norcamphor dimethyl ketals.

Technology Process of Methanol-d4

There total 29 articles about Methanol-d4 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(dimethylphosphoryl)ethyleneimine (469-47-6) → 1-deuteroaziridine (5381-40-8) + d(4)-methanol (811-98-3) + sodium dimethyl phosphate (32586-82-6)

Guidance literature:

With deuteriated sodium hydroxide; In water-d2; at 31 ℃; Product distribution; Rate constant; dependence of relative reactivity of the P-O and P-N bond on OD^(1-) concentration;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) → methane (558-20-3) + d(4)-methanol (811-98-3) + carbon monoxide (201230-82-2)

Guidance literature:

With deuterium; at 170 ℃; under 750.075 Torr; Reagent/catalyst; Catalytic behavior;

DOI:10.1021/jacs.9b10873

Reference yield:

1,3-dimethyl-1-triazene (3585-32-8,115246-94-1,115246-96-3,467426-36-4) → <2H1>methan<2H>ol (53952-42-4) + deuteromethanol (1455-13-6) + d(4)-methanol (811-98-3) + CD2HOD (53952-43-5) + methylamine (74-89-5)

Guidance literature:

With phosphate buffer; In water; at 25 ℃; Rate constant; Product distribution; Mechanism; further buffer, different pH; solvent isotope effects were measured;

DOI:10.1021/ja00273a029

upstream raw materials:

1,1,1-trideuteromethanol

Trideutero-methylbromid

diazomethane

N-(dimethylphosphoryl)ethyleneimine

Downstream raw materials:

benzophenone

[²H₃]methyl benzoate

1,1,1,2,2,2-hexamethyldisilane

2,3-Dimethyl-2-butene

Refernces

• 1、 Gutter?d, Emil S.,Lazzarini, Andrea,Fjermestad, Torstein,Kaur, Gurpreet,Manzoli, Maela,Bordiga, Silvia,Svelle, Stian,Lillerud, Karl P.,Skúlason, Egill,?ien-?Degaard, Sigurd,Nova, Ainara,Olsbye, Unni. "Hydrogenation of CO2 to Methanol by Pt Nanoparticles Encapsulated in UiO-67: Deciphering the Role of the Metal-Organic Framework". supporting information. p. 999 - 1009. Retrieved 2020/02/20.
• 2、 Qian, Qingli,Cui, Meng,Zhang, Jingjing,Xiang, Junfeng,Song, Jinliang,Yang, Guanying,Han, Buxing. "Synthesis of ethanol via a reaction of dimethyl ether with CO2 and H2". supporting information. p. 206 - 213. Retrieved 2018/01/12.