Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester
• CAS No.: 38444-29-0
• Molecular Formula: C26H34 O4
• Molecular Weight: 410.554
• Hs Code.: 2918990090
• European Community (EC) Number: 253-934-8
• DSSTox Substance ID: DTXSID0068101
• Nikkaji Number: J294.661K
• Wikidata: Q81994808
• Mol file: 38444-29-0.mol

Synonyms:38444-29-0;EINECS 253-934-8;Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester;Benzoic acid, 4-((1-oxohexyl)oxy)-, 4-heptylphenyl ester;4-heptylphenyl 4-[(1-oxohexyl)oxy]benzoate;4-n-Hexanoyloxybenzoic acid 4-n-heptylphenyl ester;4-Heptylphenyl 4-((1-oxohexyl)oxy)benzoate;DTXSID0068101;SCHEMBL11137499;4-Hexanoyloxy-benzoic acid 4-heptyl-phenyl ester;4-[(1-Oxohexyl)oxy]benzoic acid 4-heptylphenyl ester

Chemical Property of Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester

Chemical Property:

• Vapor Pressure: 3.4E-11mmHg at 25°C
• Boiling Point: 527°Cat760mmHg
• Flash Point: 257.8°C
• PSA: 52.60000
• Density: 1.047g/cm³
• LogP: 6.90440
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 410.24570956
• Heavy Atom Count: 30
• Complexity: 473

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)CCCCC

Technology Process of Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester

There total 2 articles about Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl 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-carbobenzoxyoxybenzoyl chloride + Potassium; 4-heptyl-phenolate + Hexanoyl chloride (142-61-0) → 4-heptylphenyl 4-[(1-oxohexyl)oxy]benzoate (38444-29-0)

Guidance literature:

Multistep reaction; (i) NaHCO₃, Et₂O, (ii) H₂, Pd-C, toluene, (iii) /BRN= 506332/, NaHCO₃, Et₂O;

Reference yield:

→ 4-heptylphenyl 4-[(1-oxohexyl)oxy]benzoate (38444-29-0)

Guidance literature:

upstream raw materials:

Hexanoyl chloride

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