Diisopentyl succinate

Base Information

• Chemical Name: Diisopentyl succinate
• CAS No.: 818-04-2
• Molecular Formula: C14H26 O4
• Molecular Weight: 258.358
• European Community (EC) Number: 212-448-6
• UNII: 32GYA74XJK
• DSSTox Substance ID: DTXSID80231370
• Nikkaji Number: J95.557D
• Wikidata: Q72467338
• Mol file: 818-04-2.mol

Synonyms:Diisopentyl succinate;818-04-2;bis(3-methylbutyl) butanedioate;Di(2-methylbutyl) succinate;32GYA74XJK;Butanedioic acid, bis(3-methylbutyl) ester;Butanedioic acid,1,4-bis(3-methylbutyl) ester;EINECS 212-448-6;AI3-01975;diisoamyl succinate;UNII-32GYA74XJK;SCHEMBL333015;Succinic acid, diisopentyl ester;DTXSID80231370;Succinic acid di(isopentyl) ester;MFCD00435684;AKOS025295788;Succinic acid, di(3-methylbutyl) ester;Succinic acid bis-(3-methyl-butyl) ester;butanedioic acid bis-(3-methylbutyl) ester;FT-0735475;Butanedioic acid, 1,4-bis(3-methylbutyl) ester

Chemical Property of Diisopentyl succinate

Chemical Property:

• Vapor Pressure: 0.00364mmHg at 25°C
• Boiling Point: 281.1°C at 760 mmHg
• Flash Point: 122.6°C
• PSA: 52.60000
• Density: 0.966g/cm³
• LogP: 2.94520
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

DiisopentylSuccinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)CCC(=O)OCCC(C)C

Technology Process of Diisopentyl succinate

There total 3 articles about Diisopentyl succinate 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: 90.0%

i-Amyl alcohol (123-51-3) + succinic acid (110-15-6) → isopentyl hydrogen succinate (20279-41-8) + diisoamyl succinate (818-04-2)

Guidance literature:

With ferric(III) bromide; choline chloride; toluene-4-sulfonic acid; at 70 - 80 ℃; for 6h;

Reference yield: 68.0%

succinic acid (110-15-6) → diisoamyl succinate (818-04-2)

Guidance literature:

for 2h;

DOI:10.1080/00397919808004858

Reference yield:

i-Amyl alcohol (123-51-3) + succinic acid (110-15-6) → diisoamyl succinate (818-04-2)

Guidance literature:

With sulfuric acid; benzene;

upstream raw materials:

i-Amyl alcohol

succinic acid