Dihexyl adipate

Base Information

• Chemical Name: Dihexyl adipate
• CAS No.: 110-33-8
• Molecular Formula: C18H34 O4
• Molecular Weight: 314.466
• European Community (EC) Number: 203-757-7
• UNII: H16ECG10GB
• DSSTox Substance ID: DTXSID9026841
• Nikkaji Number: J45.541E
• Wikidata: Q27279475
• ChEMBL ID: CHEMBL3185271
• Mol file: 110-33-8.mol

Synonyms:DIHEXYL ADIPATE;Dihexyl hexanedioate;110-33-8;Hexanedioic acid, dihexyl ester;Di-n-hexyl adipate;Adipic acid, dihexyl ester;Plasticizer dihexyl adipate;Hexanedioic acid,1,6-dihexyl ester;EINECS 203-757-7;UNII-H16ECG10GB;BRN 1798668;H16ECG10GB;AI3-07963;DTXSID9026841;Hexanedioic acid, 1,6-dihexyl ester;EC 203-757-7;Adimoll DH;PLASTOMOLL DHA;Dihexyl hexanedioate #;Adipic acid dihexyl ester;dihexyl adipate, AldrichCPR;CBDivE_012758;Hexanedioic acid dihexyl ester;SCHEMBL232603;DIHEXYL ADIPATE [INCI];DTXCID806841;CHEMBL3185271;Tox21_301005;AKOS024390878;NCGC00248250-01;NCGC00254907-01;CAS-110-33-8;FT-0650579;F87650;J-520323;Q27279475

Chemical Property of Dihexyl adipate

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 4.14E-05mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 351.3 °C at 760 mmHg
• Flash Point: 157.5 °C
• PSA: 52.60000
• Density: 0.945 g/cm³
• LogP: 4.79380
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 314.24570956
• Heavy Atom Count: 22
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)CCCCC(=O)OCCCCCC

Technology Process of Dihexyl adipate

There total 6 articles about Dihexyl 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: 95.0%

Adipic acid (124-04-9) + hexan-1-ol (111-27-3) → dihexyl adipate (110-33-8)

Guidance literature:

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

DOI:10.1080/00397919808005956

Reference yield: 73.0%

carbon monoxide (201230-82-2) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + hexan-1-ol (111-27-3) → dihexyl adipate (110-33-8)

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

Reference yield:

Adipic acid (124-04-9) + dihexyl phosphonate (6151-90-2) → dihexyl adipate (110-33-8)

Guidance literature:

at 178 ℃;

DOI:10.1021/ja01574a045

upstream raw materials:

Adipic acid

dihexyl phosphonate

Adipic acid dichloride

hexan-1-ol

Refernces

• 1、 -. "Preparation method for catalytic synthesis of adipic acid dialkyl ester by heteropolyacid". Paragraph 0038-0039. . Retrieved 2021/01/15.
• 2、 Yadav, Ganapati D.,Lathi, Piyush S.. "Synergism of microwaves and immobilized enzyme catalysis in synthesis of adipic acid esters in nonaqueous media". . p. 1699 - 1705. Retrieved 2007/10/03.