Ethanol-d5

Base Information

• Chemical Name: Ethanol-d5
• CAS No.: 1859-08-1
• Molecular Formula: C2H D5 O
• Molecular Weight: 51.0293
• European Community (EC) Number: 270-698-1,693-229-6
• DSSTox Substance ID: DTXSID20480249
• Nikkaji Number: J624.464E
• Wikidata: Q82314907
• Mol file: 1859-08-1.mol

Synonyms:Ethanol-d5;1859-08-1;Ethyl-d5 alcohol;1,1,2,2,2-pentadeuterioethanol;68476-78-8;Ethanol-1,1,2,2,2-d5;EINECS 270-698-1;d5-ethanol;(H)ethan-1-ol;(?H?)ethan-1-ol;((2)H)ethan-1-ol;DTXSID20480249;AKOS015915652;D99172;Ethanol-1,1,2,2,2-d5, 99.5 atom % D;J-011921

Chemical Property of Ethanol-d5

Chemical Property:

• Vapor Pressure: 82.8mmHg at 25°C
• Refractive Index: n20/D 1.358(lit.)
• Boiling Point: 78-79 °C(lit.)
• Flash Point: 48 °F
• PSA: 20.23000
• Density: 0.871 g/mL at 25 °C(lit.)
• LogP: -0.00140
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 51.073248540
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethanol-d5 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-20/22-36/37/38
• Safety Statements: 7-16-23-33-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCO
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])O
• Uses: Most ethyl alcohol(Ethanol-d5) is used in alcoholic beverages in suitable dilutions. Other uses are as solvent in laboratory and industry , in the manufacture of denatured alcohol, pharmaceuticals, in perfumery, in organic synthesis. Used as antiseptic.

Technology Process of Ethanol-d5

There total 4 articles about Ethanol-d5 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:

methylthiol (74-93-1) + <2H5>ethyl nitrite (76453-09-3) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + methanesulfonic acid (75-75-2,98527-29-8) + thionitrous acid S-methyl ester (22223-61-6) + acetaldehyde-d4 (1632-89-9) + ethanol-d5 (1859-08-1)

Guidance literature:

With air; nitrogen(II) oxide; at 30 ℃; for 0.5h; under 760 Torr; Mechanism; Irradiation; irradiation λ = 300-400 nm;

DOI:10.1021/j100236a029

Reference yield:

d(3)-acetic acid (1112-02-3) → ethanol-d5 (1859-08-1)

Guidance literature:

With lithium aluminium deuteride; In diethyl ether; Yield given;

Reference yield:

ethanol (64-17-5) → ethanol-d5 (1859-08-1)

Guidance literature:

With MnBr(CO)2[NH(CH₂CH₂P(iPr)2)2]; water-d2; sodium hydroxide; at 120 ℃; for 24h; regioselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1039/c8gc01052h

upstream raw materials:

d⁽³⁾-acetic acid

methylthiol

<2H₅>ethyl nitrite

ethanol

Downstream raw materials:

bis-pentadeuterioethyl ether

C₁₆H₂₁⁽²⁾H₅O₂

zaurategrast

4-methylbenzenesulfonic acid [D₅]ethyl ester

Refernces

• 1、 Hatakeyama, Shiro,Akimoto, Hajime. "Reactions of OH Radicals with Methanethiol, Dimethyl Sulfide, and Dimethyl Disulfide in Air". . p. 2387 - 2395. Retrieved 2007/10/02.