Dioctyl adipate

Base Information

• Chemical Name: Dioctyl adipate
• CAS No.: 123-79-5
• Molecular Formula: C22H42O4
• Molecular Weight: 370.573
• Hs Code.: 29171200
• European Community (EC) Number: 204-652-9
• NSC Number: 16201
• UNII: 2BD76YG9SI
• DSSTox Substance ID: DTXSID2021606
• Nikkaji Number: J45.961E
• Wikipedia: Dioctyl_adipate
• Wikidata: Q4731704
• Metabolomics Workbench ID: 49456
• Mol file: 123-79-5.mol

Synonyms:dioctyl hexanedioate

Chemical Property of Dioctyl adipate

Chemical Property:

• Appearance/Colour: colorless oily liquid
• Melting Point: -60 °C
• Refractive Index: 1.4474
• Boiling Point: 398.2 °C at 760 mmHg
• Flash Point: 178.6 °C
• PSA: 52.60000
• Density: 0.929 g/cm³
• LogP: 6.35420
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 370.30830982
• Heavy Atom Count: 26
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

DIOCTYL ADIPATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Other Plasticizers
• Canonical SMILES: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
• Uses: It is used as a plasticizer for synthetic rubbers, nitrocellulose, and ethyl cellulose.

Technology Process of Dioctyl adipate

There total 10 articles about Dioctyl 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: 93.0%

Adipic acid (124-04-9) + octanol (111-87-5) → dioctyl adipate (123-79-5)

Guidance literature:

With trifluorormethanesulfonic acid; at 80 ℃; for 18h; Sealed tube;

DOI:10.1039/c3ra00132f

Reference yield: 93.0%

octyl acrylate (2499-59-4,25266-13-1) → dioctyl adipate (123-79-5)

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran; at -78 ℃; for 24h;

DOI:10.1021/ja060553v

Reference yield: 77.0%

octanol (111-87-5) + carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → dioctyl adipate (123-79-5)

Guidance literature:

With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; In toluene; at 120 ℃; for 24h; under 30003 Torr; regioselective reaction; Autoclave; Green chemistry;

DOI:10.1002/anie.202015329

upstream raw materials:

Adipic acid

octanol

octyl acrylate

1-bromo-octane

Refernces

• 1、 Chen, Zhe,Han, Sheng,Lu, Deli,Xu, Yumeng. "Biomass-derived dibasic acids to diesters with inorganic ligand-supported catalyst: synthesis, optimization, characterization". . . Retrieved 2021/08/23.
• 2、 -. "Preparation method for catalytic synthesis of adipic acid dialkyl ester by heteropolyacid". Paragraph 0034-0035. . Retrieved 2021/01/15.