3,5-Diethylbenzaldehyde

Base Information

• Chemical Name: 3,5-Diethylbenzaldehyde
• CAS No.: 81698-95-5
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID60437030
• Wikidata: Q82252386
• Mol file: 81698-95-5.mol

Synonyms:3,5-diethylbenzaldehyde;81698-95-5;SCHEMBL1572876;DTXSID60437030;AKOS006228531;EN300-113910

Chemical Property of 3,5-Diethylbenzaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 2.62390
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Diethylbenzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1)C=O)CC

Technology Process of 3,5-Diethylbenzaldehyde

There total 4 articles about 3,5-Diethylbenzaldehyde 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:

2-ethylhexenal (645-62-5) + acrolein (107-02-8,25068-14-8) → 3,5-diethylbenzaldehyde (81698-95-5)

Guidance literature:

With magnesium oxide; at 400 ℃;

Reference yield:

(Z)-2-ethylhex-2-enal (88288-45-3) + acrolein (107-02-8,25068-14-8) → 3,5-diethylbenzaldehyde (81698-95-5)

Guidance literature:

With magnesium oxide; at 400 ℃;

DOI:10.1002/mrc.1270180104

Reference yield:

2-ethylhexenal (645-62-5) + crotonaldehyde (123-73-9,4170-30-3) → 3,5-diethylbenzaldehyde (81698-95-5)

Guidance literature:

magnesium; at 400 ℃;

upstream raw materials:

2-ethylhexenal

acrolein

(Z)-2-ethylhex-2-enal

crotonaldehyde

Downstream raw materials:

3,5-diethylbenzoic acid

(1R)-1-(3,5-diethylphenyl)-3-methyl-3-buten-1-ol