Diisoamyl adipate

Base Information

• Chemical Name: Diisoamyl adipate
• CAS No.: 6624-70-0
• Molecular Formula: C₁₆H₃₀O₄
• Molecular Weight: 286.412
• Hs Code.: 2917120090
• NSC Number: 53822
• UNII: EI9PMM8ZW5
• DSSTox Substance ID: DTXSID80216445
• Nikkaji Number: J33.784F
• Wikidata: Q65224924
• Mol file: 6624-70-0.mol

Synonyms:Diisoamyl adipate;6624-70-0;Bis(3-methylbutyl) adipate;Adipic acid bis(3-methylbutyl) ester;Hexanedioic acid, bis(3-methylbutyl) ester;ADIPIC ACID, DIISOPENTYL ESTER;Di(3-methylbutyl)adipate;NSC 53822;EI9PMM8ZW5;BRN 1794641;NSC-53822;bis(3-methylbutyl) hexanedioate;diisopentyl adipate;UNII-EI9PMM8ZW5;di(3-methylbutyl) adipate;Di-(3-methylbutyl)-adipat;Adipic acid diisopentyl ester;SCHEMBL249563;Bis(3-methylbutyl)hexanedioate;DTXSID80216445;WLN: 3Y1&OV4VOY3&1;NSC53822;Adipic acid, di(3-methylbutyl) ester;ISOPENTYL ALCOHOL, ADIPATE (2:1);hexanedioic acid bis-(3-methylbutyl) ester;Q65224924;HEXANEDIOIC ACID, 1,6-BIS(3-METHYLBUTYL) ESTER

Chemical Property of Diisoamyl adipate

Chemical Property:

• Vapor Pressure: 0.00069mmHg at 25°C
• Refractive Index: 1.4340 (estimate)
• Boiling Point: 308.2°C at 760 mmHg
• Flash Point: 134.9°C
• PSA: 52.60000
• Density: 0.953g/cm³
• LogP: 3.72540
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

DI-(3-METHYLBUTYL)ADIPATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diisoamyl adipate

There total 3 articles about Diisoamyl adipate 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: 84.0%

Adipic acid (124-04-9) → diisopentyl adipate (6624-70-0)

Guidance literature:

for 2h;

DOI:10.1080/00397919808004858

Reference yield:

Adipic acid (124-04-9) + i-Amyl alcohol (123-51-3) → diisopentyl adipate (6624-70-0)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/ja01102a043

Reference yield:

i-Amyl alcohol (123-51-3) + hexanedinitrile (111-69-3) → diisopentyl adipate (6624-70-0)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/jo01102a616

upstream raw materials:

Adipic acid

i-Amyl alcohol

hexanedinitrile

Refernces