Methyl 4-octyloxybenzoate

Base Information

• Chemical Name: Methyl 4-octyloxybenzoate
• CAS No.: 62435-37-4
• Molecular Formula: C16H24O3
• Molecular Weight: 264.365
• Hs Code.: 2916399090
• European Community (EC) Number: 613-032-0
• DSSTox Substance ID: DTXSID00371702
• Nikkaji Number: J47.586F
• Wikidata: Q63409015
• Mol file: 62435-37-4.mol

Synonyms:Methyl 4-octyloxybenzoate;62435-37-4;Methyl 4-n-octyloxybenzoate;methyl 4-(octyloxy)benzoate;Methyl 4-octoxybenzoate;4-Octyloxybenzoic acid methyl ester;ARACHIDYLSTEARATE;SCHEMBL3051368;DTXSID00371702;MFCD00070805;AKOS009159038;Benzoic acid,4-(octyloxy)-,methyl ester;PS-11040;CS-0326838;FT-0628656;Q63409015

Chemical Property of Methyl 4-octyloxybenzoate

Chemical Property:

• Vapor Pressure: 1.92E-05mmHg at 25°C
• Melting Point: 33-35°C
• Refractive Index: 1.489
• Boiling Point: 362.5 °C at 760 mmHg
• Flash Point: 151.4 °C
• Density: 0.99 g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 264.17254462
• Heavy Atom Count: 19
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-N-Octyloxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-octyloxybenzoate

There total 7 articles about Methyl 4-octyloxybenzoate 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: 94.0%

1-bromo-octane (111-83-1) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-(octyloxy)benzoate (62435-37-4)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1002/jccs.199700014

Reference yield: 86.0%

1-bromo-octane (111-83-1) → methyl 4-(octyloxy)benzoate (62435-37-4)

Guidance literature:

methyl 4-hydroxylbenzoate; With potassium carbonate; In acetone; for 0.75h; Heating / reflux;

1-bromo-octane; In acetone; for 49h;

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → methyl 4-(octyloxy)benzoate (62435-37-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 1 h / Reflux

2: potassium hydroxide / methanol / Reflux

With sulfuric acid; potassium hydroxide; In methanol;

DOI:10.1080/15421406.2017.1393167

upstream raw materials:

n-chlorooctane

methyl 4-hydroxylbenzoate

1-Iodooctane

1-bromo-octane

Downstream raw materials:

2,6-bis-(4'-n-octyloxybenzoate)naphthalene

4-octyloxy (4'-formyl-3'-hydroxyphenyl)benzoate

Refernces

• 1、 Shukla, Devendra K.,Sharma, Vinay S.,Prajapat, Varsha,Patel. "“Synthesis, Mesomorphic and DFT Studies of Chalcone Derived Room Temperature Liquid Crystal with Presence of Lateral Nitro and N, N-Dimethyl Amino Terminal Group”". . p. 8 - 26. Retrieved 2019/10/14.
• 2、 Sharma, Vinay S.,Sharma, Anuj S.,Jadeja, Upendra H.,Suthar, Deepak. "New chalcone based liquid crystals with allylidene amino linking unit: Synthesis and characterization". . p. 64 - 81. Retrieved 2019/02/24.