4-(Decyloxy)benzoic acid

Base Information

• Chemical Name: 4-(Decyloxy)benzoic acid
• CAS No.: 5519-23-3
• Molecular Formula: C17H26O3
• Molecular Weight: 278.392
• Hs Code.: 2918990090
• European Community (EC) Number: 611-238-5
• DSSTox Substance ID: DTXSID10203686
• Nikkaji Number: J527.075H
• Wikidata: Q83077108
• Mol file: 5519-23-3.mol

Synonyms:4-(Decyloxy)benzoic acid;5519-23-3;4-n-Decyloxybenzoic acid;p-Decyloxybenzoic acid;4-decoxybenzoic acid;4-decyloxybenzoic acid;4-(Decyloxy)benzoicAcid;p-n-decyloxybenzoic acid;para-decyloxy benzoic acid;Benzoic acid, p-(decyloxy)-;SCHEMBL503960;Benzoic acid, 4-(decyloxy)-;DTXSID10203686;4-(Decyloxy)benzoic acid, 98%;MFCD00020360;STK301824;AKOS002801482;NCGC00340153-01;AS-47902;CS-0128940;D4176;FT-0616738;F16737;AB01333541-02;A830511

Chemical Property of 4-(Decyloxy)benzoic acid

Chemical Property:

• Vapor Pressure: 3.07E-07mmHg at 25°C
• Melting Point: 94-143 °C(lit.)
• Refractive Index: 1.505
• Boiling Point: 403.6 °C at 760 mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 138.7 °C
• PSA: 46.53000
• Density: 1.014 g/cm³
• LogP: 4.90430
• Water Solubility.: Soluble in water.
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 278.18819469
• Heavy Atom Count: 20
• Complexity: 245

Purity/Quality:

98% ^*data from raw suppliers

4-(Decyloxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
• Uses: 4-n-Decyloxybenzoic acid, is used in the syntheis of liquid crystals. It can also be used to react with 3-bromo-propene to produce 5-allyloxy-2-phenyl-[1,3]dioxane. This reaction will need reagent tetra-n-butylammonium bromide and NaH, and the menstruum dimethylformamide. The reaction time is 2 hour with temperature of 20°C,

Technology Process of 4-(Decyloxy)benzoic acid

There total 38 articles about 4-(Decyloxy)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: 100.0%

methyl 4-decyloxybenzoate (62443-10-1) → p-decyloxybenzoic acid (5519-23-3)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 12h; Inert atmosphere; Reflux;

DOI:10.1039/c4cc02242d

Reference yield: 98.0%

1-bromo dodecane (112-29-8) + 4-hydroxy-benzoic acid (99-96-7) → p-decyloxybenzoic acid (5519-23-3)

Guidance literature:

With potassium hydroxide; In ethanol; Sonication; Green chemistry;

DOI:10.1134/S0036024421020163

Reference yield: 95.0%

4-decyloxy-benzoic acid ethyl ester (154845-74-6) → p-decyloxybenzoic acid (5519-23-3)

Guidance literature:

With water; potassium hydroxide; In ethanol; for 2h; Reflux;

DOI:10.1002/chem.200903210

upstream raw materials:

Ethyl 4-hydroxybenzoate

1-bromo dodecane

methyl 4-decyloxybenzoate

4-hydroxy-benzoic acid

Downstream raw materials:

4-Decyloxy-benzoic acid 4-(2-heptyloxycarbonyl-ethyl)-phenyl ester

4-Decyloxy-benzoic acid 4-(2-nonanoyloxy-ethyl)-phenyl ester

4-Decyloxy-benzoic acid 4-(2-octanoyloxy-ethoxy)-phenyl ester

C₅₆H₇₈O₈

Refernces

• 1、 Ravi Shankar Kumar, Ch.,Anjali Jha. "". . p. 349 - 356. Retrieved 2021/03/16.
• 2、 Dwivedi, Durgesh J.,Thakor, Akshay,Desai, Vipul,Sharma, Vinay S.,Patel. "Synthesis, mesomorphic properties and biological evolution of calamitic-shaped chalcone-based LCs: effect of lateral and terminal group". . p. 16 - 32. Retrieved 2021/05/26.