Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester
• CAS No.: 38444-08-5
• Deprecated CAS: 79921-12-3
• Molecular Formula: C23H30O3
• Molecular Weight: 354.48300
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID8068098
• Nikkaji Number: J422.392F
• Wikidata: Q81994805
• Mol file: 38444-08-5.mol

Synonyms:Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester;38444-08-5;4-Butylphenyl 4-hexyloxybenzoate;DTXSID8068098;SCHEMBL11672152;4-butylphenyl 4-n-hexoxybenzoate;4-(Hexyloxy)benzoic acid 4-butylphenyl ester;4-Hexyloxy-benzoic acid 4-butyl-phenyl ester

Chemical Property of Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester

Chemical Property:

• Vapor Pressure: 2.34E-09mmHg at 25°C
• Boiling Point: 479.6oC at 760 mmHg
• Flash Point: 206.7oC
• PSA: 35.53000
• Density: 1.026g/cm3
• LogP: 6.20750
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 354.21949481
• Heavy Atom Count: 26
• Complexity: 366

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCC

Technology Process of Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester

There total 2 articles about Benzoic acid, 4-(hexyloxy)-, 4-butylphenyl ester 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:

4-hexyloxybenzoyl chloride (39649-71-3) + Potassium; 4-butyl-phenolate → 4-Butylphenyl-4'-hexyloxybenzoat (38444-08-5)

Guidance literature:

With sodium hydrogencarbonate; In diethyl ether;

Reference yield:

→ 4-Butylphenyl-4'-hexyloxybenzoat (38444-08-5)

Guidance literature:

/BRN= 210619/, /BRN= 163542/, NaHCO3, Et2O;

upstream raw materials:

4-hexyloxybenzoyl chloride