Benzaldehyde, 4-hexyl-

Base Information

• Chemical Name: Benzaldehyde, 4-hexyl-
• CAS No.: 49763-69-1
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• Hs Code.: 2912299000
• European Community (EC) Number: 256-479-3
• DSSTox Substance ID: DTXSID5068522
• Nikkaji Number: J30.751C
• Wikidata: Q81995266
• Mol file: 49763-69-1.mol

Synonyms:4-hexylbenzaldehyde;49763-69-1;4-N-HEXYLBENZALDEHYDE;Benzaldehyde, 4-hexyl-;p-Hexylbenzaldehyde;EINECS 256-479-3;parahexylbenzaldehyde;p-n-hexylbenzaldehyde;p-Hexylbenzaldehyde, j;SCHEMBL1884477;DTXSID5068522;BDBM85655;MFCD00041871;AKOS023873983;FT-0639888;A827845

Chemical Property of Benzaldehyde, 4-hexyl-

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Boiling Point: 292.3°Cat760mmHg
• Flash Point: 116.2°C
• PSA: 17.07000
• Density: 0.951g/cm³
• LogP: 3.62190
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

4-Hexylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC=C(C=C1)C=O

Technology Process of Benzaldehyde, 4-hexyl-

There total 25 articles about Benzaldehyde, 4-hexyl- 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: 99.0%

p-n-hexylbenzaldehyde diethylacetal (89511-01-3) → 4-hexylbenzaldehyde (49763-69-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; for 2.5h; Ambient temperature;

DOI:10.1071/C96180

Reference yield: 90.0%

hexylbenzene (1077-16-3) + hexamethylenetetramine (100-97-0) → 4-hexylbenzaldehyde (49763-69-1)

Guidance literature:

In trifluoroacetic acid; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ml200278u

Reference yield: 82.0%

4-(hex-1-yn-1-yl)benzaldehyde (175203-90-4) → 4-hexylbenzaldehyde (49763-69-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; for 6h;

upstream raw materials:

bis(2-chloromethyl)ether

hexylbenzene

oxalyl dichloride

4-hexylbenzoyl chloride

Downstream raw materials:

5-Heptyl-2-(4-hexyl-phenyl)-[1,3]dioxane

5-Heptyl-2-(4-hexyl-phenyl)-[1,3]dioxane

4-n-Hexyl-β,β'-dibromostyrene

5,15,10,20-tetraphenylporphyrin

Refernces

• 1、 Dilauro, Giuseppe,Azzollini, Claudia S.,Vitale, Paola,Salomone, Antonio,Perna, Filippo M.,Capriati, Vito. "Scalable Negishi Coupling between Organozinc Compounds and (Hetero)Aryl Bromides under Aerobic Conditions when using Bulk Water or Deep Eutectic Solvents with no Additional Ligands". supporting information. p. 10632 - 10636. Retrieved 2021/04/09.
• 2、 Zhang, Yuanyuan,Ye, Wenjing,Leng, Xue,He, Ying,Zhang, Hui,Xiao, Xiao. "Metal-catalyzed formal amidation of alkenes under CO-free condition". supporting information. p. 4203 - 4206. Retrieved 2016/08/24.