Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate

Base Information

• Chemical Name: Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate
• CAS No.: 19434-79-8
• Molecular Formula: C24H44 O4
• Molecular Weight: 396.611
• European Community (EC) Number: 243-063-1
• DSSTox Substance ID: DTXSID40941165
• Nikkaji Number: J242.816D
• Mol file: 19434-79-8.mol

Synonyms:19434-79-8;Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate;Hexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoate;EINECS 243-063-1;hexyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate;DTXSID40941165;3-(3-Pentyloxiran-2-ylmethyl)oxirane-2-octanoic acid hexyl ester;Oxiraneoctanoic acid, 3-((3-pentyloxiranyl)methyl)-, hexyl ester;1,2:4,5-dianhydro-3-deoxy-1-[8-(hexyloxy)-8-oxooctyl]-5-pentylpentitol

Chemical Property of Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate

Chemical Property:

• Vapor Pressure: 3.7E-09mmHg at 25°C
• Boiling Point: 474.2°Cat760mmHg
• Flash Point: 199.7°C
• PSA: 51.36000
• Density: 0.971g/cm³
• LogP: 6.34580
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 396.32395988
• Heavy Atom Count: 28
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)CCCCCCCC1C(O1)CC2C(O2)CCCCC

Technology Process of Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate

There total 3 articles about Hexyl 3-((3-pentyloxiranyl)methyl)oxiran-2-octanoate 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: 97.6%

C24H44O2 → C24H44O4 (19434-79-8)

Guidance literature:

With tert.-butylhydroperoxide; In dodecane; at 65 ℃; for 5h;

DOI:10.1039/c4ra03454f

Reference yield: 93.0%

(9Z,12Z)-hexyl octadeca-9,12-dienoate → C24H44O4 (19434-79-8)

Guidance literature:

With Fermase CalB; dihydrogen peroxide; In water; at 35 ℃; for 12h; Green chemistry; Enzymatic reaction;

DOI:10.1039/c5ra08582a

Reference yield:

linoleic acid (60-33-3,116745-32-5,26085-09-6,64080-88-2,7049-66-3,949900-18-9,60476-23-5,6144-28-1,67922-65-0,89718-18-3) + hexan-1-ol (111-27-3) → C24H44O4 (19434-79-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / toluene / 110 °C / Dean-Stark

2: Fermase CalB; dihydrogen peroxide / water / 12 h / 35 °C / Green chemistry; Enzymatic reaction

With Fermase CalB; dihydrogen peroxide; toluene-4-sulfonic acid; In water; toluene;

DOI:10.1039/c5ra08582a

upstream raw materials:

linoleic acid

hexan-1-ol

Refernces

• 1、 Khatri, Praveen K.,Aila, Mounika,Porwal, Jyoti,Kaul, Savita,Jain, Suman L.. "Industrial resin "INDION 130" modified with vanadyl cations as highly efficient heterogeneous catalyst for epoxidation of fatty compounds with TBHP as oxidant". . p. 5960 - 5965. Retrieved 2015/08/18.