Benzoic acid, 4-(5-hexenyloxy)-

Base Information

• Chemical Name: Benzoic acid, 4-(5-hexenyloxy)-
• CAS No.: 115595-28-3
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• European Community (EC) Number: 601-373-8
• DSSTox Substance ID: DTXSID50456937
• Nikkaji Number: J1.390.096E
• Wikidata: Q72482276
• Mol file: 115595-28-3.mol

Synonyms:Benzoic acid, 4-(5-hexenyloxy)-;115595-28-3;4-hex-5-enoxybenzoic Acid;4-(5-hexenyloxy)benzoic acid;Benzoic acid, 4-(5-hexen-1-yloxy)-;SCHEMBL1871410;DTXSID50456937;4-(Hex-5-en-1-yloxy)benzoic acid

Chemical Property of Benzoic acid, 4-(5-hexenyloxy)-

Chemical Property:

• Vapor Pressure: 4.06E-06mmHg at 25°C
• Boiling Point: 369.7oC at 760 mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 138.8oC
• PSA: 46.53000
• Density: 1.081g/cm3
• LogP: 3.11990
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCOC1=CC=C(C=C1)C(=O)O

Technology Process of Benzoic acid, 4-(5-hexenyloxy)-

There total 10 articles about Benzoic acid, 4-(5-hexenyloxy)- 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: 95.0%

ethyl 4-(hex-5-enyloxy)benzoate (188638-99-5) → 4-(hex-5-en-1-yloxy)benzoic acid (115595-28-3)

Guidance literature:

ethyl 4-(hex-5-enyloxy)benzoate; With water; sodium hydroxide; In methanol; for 3h; Reflux;

With hydrogenchloride; In water;

DOI:10.14233/ajchem.2016.19651

Reference yield: 95.0%

6-Bromo-1-hexene (2695-47-8) + 4-hydroxy-benzoic acid (99-96-7) → 4-(hex-5-en-1-yloxy)benzoic acid (115595-28-3)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1039/a807003b

Reference yield: 82.0%

methyl 4-(hex-5-en-1-yloxy)benzoate (190383-79-0) → 4-(hex-5-en-1-yloxy)benzoic acid (115595-28-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1039/a809842e

upstream raw materials:

ethyl 4-(hex-5-enyloxy)benzoate

6-Bromo-1-hexene

4-hydroxy-benzoic acid

methyl 4-(hex-5-en-1-yloxy)benzoate

Downstream raw materials:

4-(hex-5-en-1-yloxy)benzoyl chloride

2,5-bis[[4'-(n-hex-5''-enyloxy)benzoyl]oxy]toluene

4-methoxyphenyl 4-(5-hexenyloxy)benzoate

(R)-1-methylheptyl 4'-[4-(hex-5-enyloxy)benzoyloxy]biphenyl-4-carboxylate