4-(8-Hydroxyoctyloxy)benzoic acid

Base Information

• Chemical Name: 4-(8-Hydroxyoctyloxy)benzoic acid
• CAS No.: 140918-53-2
• Molecular Formula: C15H22 O4
• Molecular Weight: 266.337
• Hs Code.: 2918990090
• European Community (EC) Number: 604-207-2
• DSSTox Substance ID: DTXSID10566561
• Nikkaji Number: J1.825.526J
• Wikidata: Q82452225
• Mol file: 140918-53-2.mol

Synonyms:140918-53-2;4-(8-HYDROXYOCTYLOXY)BENZOIC ACID;4-(8-hydroxyoctoxy)benzoic acid;4-[(8-hydroxyoctyl)oxy]benzoic acid;4-((8-Hydroxyoctyl)oxy)benzoic acid;SCHEMBL430092;DTXSID10566561;4-((8-Hydroxyoctyl)oxy)benzoicacid;3-(4-CHLORO-PHENYL)-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLICACID

Chemical Property of 4-(8-Hydroxyoctyloxy)benzoic acid

Chemical Property:

• Vapor Pressure: 1.64E-08mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 439.8°Cat760mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 160.1°C
• PSA: 66.76000
• Density: 1.114g/cm³
• LogP: 3.09650
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 234

Purity/Quality:

98%Min ^*data from raw suppliers

4-(8-HYDROXYOCTYLOXY)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCCCCCCCO

Technology Process of 4-(8-Hydroxyoctyloxy)benzoic acid

There total 5 articles about 4-(8-Hydroxyoctyloxy)benzoic 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: 76.0%

8-bromooctanol (50816-19-8) + 4-hydroxy-benzoic acid (99-96-7) → 4-((8-hydroxyoctyl)oxy)-benzoic acid (140918-53-2)

Guidance literature:

With potassium hydroxide; potassium iodide; In ethanol; water;

Reference yield:

4-(8-hydroxy-octyloxy)-benzoic acid methyl ester → 4-((8-hydroxyoctyl)oxy)-benzoic acid (140918-53-2)

Guidance literature:

With ethanol; potassium hydroxide;

DOI:10.1016/j.reactfunctpolym.2009.12.002

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-((8-hydroxyoctyl)oxy)-benzoic acid (140918-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide

2: ethanol; potassium hydroxide

With ethanol; potassium carbonate; potassium iodide; potassium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1016/j.reactfunctpolym.2009.12.002

upstream raw materials:

8-bromooctanol

4-hydroxy-benzoic acid

methyl 4-hydroxylbenzoate

8-chlorooctan-1-ol

Downstream raw materials:

4-<8-(but-3-enoyloxy)octyloxy>benzoic acid

4-cyanophenyl 4-<8-(but-3-enoyloxy)octyloxy>benzoate

4-(8-acryloyloxyoctyloxy)benzoic acid

C₂₉H₃₅N₃O₆