4-Octadecylbenzoic acid

Base Information

• Chemical Name: 4-Octadecylbenzoic acid
• CAS No.: 33327-30-9
• Molecular Formula: C25H42O2
• Molecular Weight: 374.607
• DSSTox Substance ID: DTXSID90577670
• Wikidata: Q82467746
• Mol file: 33327-30-9.mol

Synonyms:4-OCTADECYLBENZOIC ACID;33327-30-9;SCHEMBL970162;DTXSID90577670

Chemical Property of 4-Octadecylbenzoic acid

Chemical Property:

• Boiling Point: 494.2±24.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.939±0.06 g/cm3(Predicted)
• LogP: 8.18880
• XLogP3: 11.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 374.318480578
• Heavy Atom Count: 27
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)O

Technology Process of 4-Octadecylbenzoic acid

There total 5 articles about 4-Octadecylbenzoic acid 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: 85.0%

4-octadecylbenzaldehyde → 4-octadecylbenzoic acid (33327-30-9)

Guidance literature:

With sodium chlorite; potassium dihydrogenphosphate; recorcinol; In water; tert-butyl alcohol; at 20 ℃; for 1h;

DOI:10.1039/c9tc06456g

Reference yield:

1-(4-octadecyl-phenyl)-ethanone (33371-79-8) → 4-octadecylbenzoic acid (33327-30-9)

Guidance literature:

With sodium hydroxide; bromine; In tetrahydrofuran;

Reference yield:

octadecylbenzene (4445-07-2) → 4-octadecylbenzoic acid (33327-30-9)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: Br₂, aq. NaOH / tetrahydrofuran

With sodium hydroxide; aluminium trichloride; bromine; In tetrahydrofuran; carbon disulfide;

upstream raw materials:

1-(4-octadecyl-phenyl)-ethanone

octadecylbenzene

p-bromobenzaldehyde 1,3-dioxolane

1-Bromooctadecane

Refernces