Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate

Base Information

• Chemical Name: Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate
• CAS No.: 84731-70-4
• Molecular Formula: C24H44O4
• Molecular Weight: 396.611
• Hs Code.: 2917209090
• European Community (EC) Number: 283-829-2
• DSSTox Substance ID: DTXSID001005033
• Nikkaji Number: J309.120A
• Mol file: 84731-70-4.mol

Synonyms:Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate;84731-70-4;EINECS 283-829-2;EC 283-829-2;SCHEMBL1296760;1,4-Cyclohexanedicarboxylic acid bis(2-ethylhexyl) ester;SCHEMBL23654829;HOQGHOMLEVKTBY-UHFFFAOYSA-N;DTXSID001005033;di(2-ethylhexyl)cyclohexan-1,4-dicarboxylate;Di(2-ethylhexyl)cyclohexane-1,4-dicarboxylate

Chemical Property of Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.39E-08mmHg at 25°C
• Boiling Point: 458.2°C at 760 mmHg
• Flash Point: 213.7°C
• PSA: 52.60000
• Density: 0.959
• LogP: 6.31200
• Water Solubility.: 47μg/L at 20℃
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 396.32395988
• Heavy Atom Count: 28
• Complexity: 386

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1CCC(CC1)C(=O)OCC(CC)CCCC

Technology Process of Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate

There total 4 articles about Bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate 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: 99.0%

di(2-ethylhexyl)terephthalate (6422-86-2) → bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate (84731-70-4)

Guidance literature:

With hydrogen; at 150 ℃; for 3h; under 60006 Torr;

Reference yield: 97.0%

2-Ethylhexyl alcohol (104-76-7) + cyclohexane-1,4-dicarboxylic acid (619-81-8,619-82-9,1076-97-7) → bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate (84731-70-4)

Guidance literature:

With titanium(IV) isopropylate; at 230 ℃; for 6h; Inert atmosphere;

Reference yield:

di-n-butyl terephthalate (1962-75-0) + di(2-ethylhexyl)terephthalate (6422-86-2) + 1-butyl 4-(2-ethylhexyl)terephthalate → bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate (84731-70-4) + 1,4-DBCH (93158-39-5) + 1,4-BEHCH

Guidance literature:

With hydrogen; at 150 ℃; for 3h; under 60006 Torr;

upstream raw materials:

di(2-ethylhexyl)terephthalate

di-n-butyl terephthalate

2-Ethylhexyl alcohol

cyclohexane-1,4-dicarboxylic acid

Refernces

• 1、 -. "PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME". Paragraph 0084; 0085. . Retrieved 2019/02/24.
• 2、 -. "SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS". Page/Page column 10. . Retrieved 2008/06/13.