Benzoic acid, 4-(8-nonenyloxy)-

Base Information

• Chemical Name: Benzoic acid, 4-(8-nonenyloxy)-
• CAS No.: 115595-30-7
• Molecular Formula: C16H22O3
• Molecular Weight: 262.34400
• DSSTox Substance ID: DTXSID40396454
• Wikidata: Q82197177
• Mol file: 115595-30-7.mol

Synonyms:115595-30-7;Benzoic acid, 4-(8-nonenyloxy)-;4-non-8-enoxybenzoic Acid;4-(8-nonenyloxy)benzenecarboxylic acid;4-(NON-8-EN-1-YLOXY)BENZOIC ACID;Benzoic acid, 4-(8-nonen-1-yloxy)-;SCHEMBL13346213;DTXSID40396454;MFCD01814564;AKOS005080844;4-(NON-8-EN-1-YLOXY)BENZOICACID;12N-141

Chemical Property of Benzoic acid, 4-(8-nonenyloxy)-

Chemical Property:

• Boiling Point: 408.1±28.0 °C(Predicted)
• PKA: 4.48±0.10(Predicted)
• PSA: 46.53000
• Density: 1.036±0.06 g/cm3(Predicted)
• LogP: 4.29020
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 262.15689456
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

4-(8-Nonenyloxy)benzenecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCOC1=CC=C(C=C1)C(=O)O

Technology Process of Benzoic acid, 4-(8-nonenyloxy)-

There total 4 articles about Benzoic acid, 4-(8-nonenyloxy)- 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-non-8-enyloxy-benzoic acid ethyl ester → 4-Non-8-enyloxy-benzoic acid (115595-30-7)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

DOI:10.1021/ja057685t

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-Non-8-enyloxy-benzoic acid (115595-30-7)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; tetrabutylammonium iodide / butan-2-one / Heating

2: aq. KOH / ethanol / Heating

With potassium hydroxide; tetra-(n-butyl)ammonium iodide; potassium carbonate; In ethanol; butanone;

DOI:10.1021/ja057685t

Reference yield:

non-8-en-1-ol (13038-21-6) → 4-Non-8-enyloxy-benzoic acid (115595-30-7)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine

2: K₂CO₃; tetrabutylammonium iodide / butan-2-one / Heating

3: aq. KOH / ethanol / Heating

With pyridine; potassium hydroxide; tetra-(n-butyl)ammonium iodide; potassium carbonate; In ethanol; butanone;

DOI:10.1021/ja057685t

upstream raw materials:

Ethyl 4-hydroxybenzoate

non-8-en-1-ol

non-8-enyl 4-methylbenzenesulfonate

Downstream raw materials:

C₅₄H₆₂O₈