9-Octadecenoic acid (9Z)-, hexyl ester

Base Information

• Chemical Name: 9-Octadecenoic acid (9Z)-, hexyl ester
• CAS No.: 20290-84-0
• Molecular Formula: C24H46O2
• Molecular Weight: 366.628
• Hs Code.: 2916150000
• European Community (EC) Number: 243-692-1
• DSSTox Substance ID: DTXSID9066590
• Mol file: 20290-84-0.mol

Synonyms:hexyl octadec-9-enoate;9-Octadecenoic acid (9Z)-, hexyl ester;20290-84-0;DTXSID9066590

Chemical Property of 9-Octadecenoic acid (9Z)-, hexyl ester

Chemical Property:

• Vapor Pressure: 4.94E-08mmHg at 25°C
• Melting Point: -30.3 °C
• Boiling Point: 442.6°Cat760mmHg
• Flash Point: 86.4°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 8.14740
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 366.349780706
• Heavy Atom Count: 26
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC

Technology Process of 9-Octadecenoic acid (9Z)-, hexyl ester

There total 5 articles about 9-Octadecenoic acid (9Z)-, hexyl ester 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: 95.2%

cis-Octadecenoic acid (112-80-1,2027-47-6) + hexan-1-ol (111-27-3) → cis-9-octadecenoic acid hexyl ester (20290-84-0)

Guidance literature:

With 1,1,3,3-tetramethylguanidinium hydrogen sulphate; at 150 ℃; for 6h;

DOI:10.1039/c6ra19771j

Reference yield: 91.0%

Methyl oleate (112-62-9) + hexan-1-ol (111-27-3) → cis-9-octadecenoic acid hexyl ester (20290-84-0)

Guidance literature:

With SO₃H and NH₂⁺ functional carbon-based solid acid; at 80 ℃; for 9h;

DOI:10.1039/c5ra13839f

Reference yield:

(Z)-9-octadecenoyl chloride (112-77-6) + hexan-1-ol (111-27-3) → cis-9-octadecenoic acid hexyl ester (20290-84-0)

Guidance literature:

With triethylamine; trimethylamine;

upstream raw materials:

1-bromo-hexane

potassium oleate

cis-Octadecenoic acid

hexan-1-ol

Refernces

• 1、 Noro, Jennifer,Cavaco-Paulo, Artur,Silva, Carla. "Chemically Modified Lipase from Thermomyces lanuginosus with Enhanced Esterification and Transesterification Activities". . p. 4524 - 4531. Retrieved 2021/09/02.
• 2、 Porwal, Jyoti,Kumar, Subodh,Kaul, Savita,Jain, Suman L.. "Guanidine based task specific ionic liquids for the synthesis of biolubricant range esters under solvent-free condition". . p. 93640 - 93644. Retrieved 2016/10/18.