Acetaldehyde-13C2

Base Information

• Chemical Name: Acetaldehyde-13C2
• CAS No.: 1632-98-0
• Molecular Formula: C₂H₄O
• Molecular Weight: 46.0312
• European Community (EC) Number: 685-214-8
• DSSTox Substance ID: DTXSID30449064
• Wikidata: Q82268378
• Mol file: 1632-98-0.mol

Synonyms:Acetaldehyde-13C2;1632-98-0;Acetaldehyde 13C2;DTXSID30449064;CS-T-46913;Acetaldehyde-13C2, 99 atom % 13C

Chemical Property of Acetaldehyde-13C2

Chemical Property:

• Melting Point: −125 °C(lit.)
• Refractive Index: 1.315
• Boiling Point: 21 °C(lit.)
• Flash Point: −36 °F
• PSA: 17.07000
• Density: 0.820 g/mL at 25 °C
• 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: 46.032924418
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

99.90% ^*data from raw suppliers

Acetaldehyde-13C2 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=O
• Isomeric SMILES: [13CH3][13CH]=O
• Uses: Acetaldehyde-13C2 labelled analog of Acetaldehyde (A132600) which is used as a general solvent in organic and polymer chemical reactions. It also plays a role in fruit and food quality, ripening and d eterioration.

Technology Process of Acetaldehyde-13C2

There total 4 articles about Acetaldehyde-13C2 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:

(13)C2-acetylene (35121-31-4) → [1,2-13C2]acetaldehyde (1632-98-0)

Guidance literature:

With zeolite HY; water; Product distribution; Mechanism; other zeolites, var. temperatures;

DOI:10.1021/ja00166a059

Reference yield:

[1,2-13C]Cyanohydrin → [1,2-13C2]acetaldehyde (1632-98-0) + (13)C3H5NO2 + (13)C2H6O2 + (13)CH4OS + (13)C2H6O3 + 13C2-acetonitrile (1722-25-4) + (13)CH4O2 + (13)CNS(1-) (65300-10-9)

Guidance literature:

With sodium dihydrogenphosphate dihydrate; sodium monohydrogensulphide hydrate; water; copper(l) cyanide; In water-d2; for 2h; pH=7; Irradiation; Inert atmosphere;

DOI:10.1002/anie.201300321

Reference yield:

carbon dioxide (1111-72-4) → [1,2-13C2]acetaldehyde (1632-98-0) + 13C-formate (105959-50-0) + <1,2-13C2>acetate

Guidance literature:

With water; potassium hydrogencarbonate; Electrochemical reaction;

DOI:10.1002/anie.201905318

upstream raw materials:

⁽¹³⁾C₂-acetylene

carbon dioxide

Downstream raw materials:

[1,2-13C₂]acetic acid