(2H4)Acetaldehyde

Base Information

• Chemical Name: (2H4)Acetaldehyde
• CAS No.: 1632-89-9
• Molecular Formula: C2D4O
• Molecular Weight: 48.0214
• European Community (EC) Number: 216-641-6
• DSSTox Substance ID: DTXSID50167531
• Nikkaji Number: J195.259E
• Wikidata: Q83036924
• Mol file: 1632-89-9.mol

Synonyms:Acetaldehyde-d4;1632-89-9;(2H4)Acetaldehyde;Acetaldehyde D4;1,2,2,2-tetradeuterioethanone;[2H4]acetaldehyde;EINECS 216-641-6;ACETALDEHYDE-1,2,2,2-D4;Acetaldehyde-d4-;Tetradeuteroacetaldehyde;C2D4O;C2-D4-O;DTXSID50167531;AKOS015903943;CS-T-46912;HY-110405;CS-0042406;D97866;A935327;Acetaldehyde-d4, >=99 atom % D, >=98% (CP);J-010029

Chemical Property of (2H4)Acetaldehyde

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 14.05 psi ( 20 °C)
• Melting Point: -125 °C(lit.)
• Refractive Index: n20/D 1.3321(lit.)
• Boiling Point: 18.6 °C at 760 mmHg
• Flash Point: −17 °F
• PSA: 17.07000
• Density: 0.816 g/cm³
• LogP: 0.20520
• Storage Temp.: -20°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 48.051321731
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

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

Acetaldehyde-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+, Xn
• Hazard Codes: F+,Xn
• Statements: 12-36/37-40
• Safety Statements: 16-33-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=O
• Isomeric SMILES: [2H]C(=O)C([2H])([2H])[2H]
• Uses: ACETALDEHYDE-D4 is used as a derivatizing agent in the measurement of endogenous epinephrine and norepinephrine in human plasma. It is also used to label the amine groups on biogenic monoamine neur otransmitters for simultaneous panel determination.

Technology Process of (2H4)Acetaldehyde

There total 13 articles about (2H4)Acetaldehyde 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: 38.0%

Ethyl-d5 phenylglyoxylate → biphenyl (92-52-4,1594-86-1) + acetaldehyde-d4 (1632-89-9) + 1,3-diphenyl-propane-1,2,3-trione (643-75-4) + benzaldehyde (100-52-7) + C17H11(2)H5O4 + C20H12(2)H10O6

Guidance literature:

In benzene; at 25 ℃; Quantum yield; Irradiation;

DOI:10.1021/jo960685e

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:

C5H4(2)H4O2 → acetaldehyde-d4 (1632-89-9) + propargyl alcohol (107-19-7)

Guidance literature:

With acetic acid buffer; potassium chloride; at 25 ℃; Rate constant; var. concentration of acetic acid;

DOI:10.1021/ja00005a035

upstream raw materials:

acetylene-d2

<1,2,2,2-D4>Ethanol

ethanol-d5

Ethylene-d4

Downstream raw materials:

1,1-dichloroethane-d₄

Monodeuteromethan

d₃-acetyl radical

methane

Refernces

• 1、 Xie, Jianhui,Lo, Po-Kam,Lam, Chow-Shing,Lau, Kai-Chung,Lau, Tai-Chu. "A hydrogen-atom transfer mechanism in the oxidation of alcohols by [FeO4]2- in aqueous solution". . p. 240 - 245. Retrieved 2018.
• 2、 Fitzmaurice, Donald J.,Frei, Heinz. "Photoinduced Oxygen Transfer from NO2 to Ethylene in the Vicinity of the NO2 Dissociation Threshold. A Laser Photochemical Study on Reactant Pairs Isolated in Solid Argon". . p. 10308 - 10315. Retrieved 1992.
• 3、 Hu, Shengkui,Neckers, Douglas C.. "Photochemical reactions of alkyl phenylglyoxylates". . p. 6407 - 6415. Retrieved 2007/10/03.
• 4、 Scott, Susannah L.,Bakac, Andreja,Espenson, James H.. "Oxidation of alcohols, aldehydes, and carboxylates by the aquachromium(IV) ion". . p. 4205 - 4213. Retrieved 2007/10/02.