Diisooctyl adipate

Base Information

• Chemical Name: Diisooctyl adipate
• CAS No.: 105-96-4
• Molecular Formula: C22H42 O4
• Molecular Weight: 370.573
• European Community (EC) Number: 215-553-5,203-348-3
• UNII: 1PN0D86IXJ
• DSSTox Substance ID: DTXSID60274043
• Nikkaji Number: J182.204G
• Wikidata: Q26841328
• Metabolomics Workbench ID: 130625
• ChEMBL ID: CHEMBL3184158
• Mol file: 105-96-4.mol

Synonyms:diisooctyl phthalate;diisooctylphthalate

Chemical Property of Diisooctyl adipate

Chemical Property:

• Vapor Pressure: 4.6E-06mmHg at 25°C
• Boiling Point: 382.8°Cat760mmHg
• Flash Point: 168.9°C
• PSA: 52.60000
• Density: 0.927g/cm³
• LogP: 6.06600
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 370.30830982
• Heavy Atom Count: 26
• Complexity: 316

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C

Technology Process of Diisooctyl adipate

There total 2 articles about Diisooctyl 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: 91.0%

Adipic acid (124-04-9) + 6-methylheptanol (1653-40-3) → di-iso-octyl adipate (105-96-4)

Guidance literature:

With pyrographite; toluene-4-sulfonic acid; for 0.0111111h; Microwave irradiation (600 W);

DOI:10.1080/00304940009355928

Reference yield:

Adipic acid (124-04-9) + isooctanoic acid (929-10-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → di-iso-octyl adipate (105-96-4)

Guidance literature:

isooctanoic acid; glycerol; With pyrographite; tin(ll) chloride; at 160 - 220 ℃; for 3h;

Adipic acid; With phosphoric acid; at 140 - 200 ℃; for 3h; Temperature; Reagent/catalyst;

upstream raw materials:

Adipic acid

6-methylheptanol

isooctanoic acid

glycerol

Refernces

• 1、 -. "Preparation method for diisooctyl adipate". Paragraph 0022-0028. . Retrieved 2017/03/17.