2-Ethylvaleraldehyde

Base Information

• Chemical Name: 2-Ethylvaleraldehyde
• CAS No.: 22092-54-2
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 2912190090
• European Community (EC) Number: 244-773-4
• DSSTox Substance ID: DTXSID30944726
• Nikkaji Number: J285.433C
• Mol file: 22092-54-2.mol

Synonyms:2-ethylpentanal;2-Ethylvaleraldehyde;22092-54-2;SCHEMBL269385;DTXSID30944726;EINECS 244-773-4;AKOS022632838;EN300-1228667

Chemical Property of 2-Ethylvaleraldehyde

Chemical Property:

• Vapor Pressure: 5.92mmHg at 25°C
• Boiling Point: 141.2°Cat760mmHg
• Flash Point: 32.6°C
• PSA: 17.07000
• Density: 0.805g/cm³
• LogP: 2.01160
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 59.4

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC)C=O

Technology Process of 2-Ethylvaleraldehyde

There total 42 articles about 2-Ethylvaleraldehyde 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: 57.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-hexene (592-41-6,25067-06-5) → heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 2-ethylpentanal (22092-54-2)

Guidance literature:

With hydrogen; at 110 ℃; under 30003 Torr;

DOI:10.1016/j.catcom.2010.10.026

Reference yield: 52.0%

1-hexene (592-41-6,25067-06-5) + carbon monoxide (201230-82-2) → heptanal (111-71-7) + 2-methylhexanal (925-54-2) + 2-ethylpentanal (22092-54-2) + hexane (110-54-3)

Guidance literature:

With hydrogen; N-dodecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; {Rh(cod)[μ-S(CH2)3Si(OMe)3]}2; triphenylphosphine; In water; butan-1-ol; at 80 ℃; for 14h; under 20701.7 Torr; microemulsion/sol-gel;

DOI:10.1002/ejoc.200500244

Reference yield: 47.0%

hex-3-yne (928-49-4) + carbon monoxide (201230-82-2) → (E)-2-ethylpent-2-enal (68113-65-5) + 2-ethylpentanal (22092-54-2) + 3-hexene (592-47-2)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; dicobalt octacarbonyl; hydrogen; triethylamine; In benzene; at 150 ℃; for 1h; under 53200 Torr;

DOI:10.1021/ja9703887

upstream raw materials:

(E)-2-ethyl-pent-2-en-1-ol

(E)-2-ethylpent-2-enal

2-ethylpent-4-enal

diisobutyl-pent-1-enyl-amine