Dipentyl adipate

Base Information

• Chemical Name: Dipentyl adipate
• CAS No.: 14027-78-2
• Molecular Formula: C16H30 O4
• Molecular Weight: 286.412
• Hs Code.: 2917120090
• European Community (EC) Number: 237-866-6
• DSSTox Substance ID: DTXSID50161291
• Nikkaji Number: J125.430H
• Wikidata: Q65224700
• Mol file: 14027-78-2.mol

Synonyms:DIPENTYL ADIPATE;Dipentyl hexanedioate;14027-78-2;EINECS 237-866-6;Adipic acid dipentyl ester;Adipic acid, dipentyl ester;hexanedioic acid dipentyl ester;SCHEMBL1419432;DTXSID50161291;Q65224700

Chemical Property of Dipentyl adipate

Chemical Property:

• Vapor Pressure: 0.000213mmHg at 25°C
• Boiling Point: 326.6°Cat760mmHg
• Flash Point: 146.4°C
• PSA: 52.60000
• Density: 0.955g/cm³
• LogP: 4.01360
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 286.21440943
• Heavy Atom Count: 20
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CCCCC(=O)OCCCCC

Technology Process of Dipentyl adipate

There total 5 articles about Dipentyl 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: 96.0%

Adipic acid (124-04-9) + pentan-1-ol (71-41-0) → hexanedioic acid dipentyl ester (14027-78-2)

Guidance literature:

With Fe(SO₄)3 * xH₂O; for 1h; Heating;

DOI:10.1080/00397919808005956

Reference yield: 93.5%

pentan-1-ol (71-41-0) + carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → hexanedioic acid dipentyl ester (14027-78-2)

Guidance literature:

With tris(2,4-pentanedionato)ruthenium(III); potassium palladium(II) chloride; trifluoroacetic acid; In toluene; at 160 ℃; for 24h; under 67506.8 Torr; Reagent/catalyst; Pressure; Temperature; Inert atmosphere; Autoclave;

Reference yield:

pentan-1-ol (71-41-0) + Adipic acid dichloride (111-50-2) → hexanedioic acid dipentyl ester (14027-78-2)

Guidance literature:

DOI:10.1021/ja01861a043

upstream raw materials:

Adipic acid

pentan-1-ol

Adipic acid dichloride

carbon monoxide

Downstream raw materials:

pentane