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

Base Information

• Chemical Name: Bis(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate
• CAS No.: 2915-49-3
• Molecular Formula: C₂₄H₄₂O₄
• Molecular Weight: 394.595
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID50334342
• Nikkaji Number: J150.273E
• Mol file: 2915-49-3.mol

Synonyms:2915-49-3;Bis(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate;bis(2-ethylhexyl) cyclohex-4-ene-1,2-dicarboxylate;1,2,3,6-Tetrahydrophthalic acid di(2-ethylhexyl)ester;4-Cyclohexene-1,2-dicarboxylic acid, 1,2-bis(2-ethylhexyl) ester;SCHEMBL1897490;DTXSID50334342;1,2,3,6-TETRAHYDROPHTHALIC ACID DI(2-ETHYLHEXYL) ESTER;CAA91549;MFCD00059565;BS-42119;CS-0435506;FT-0716452;T0605;bis(2-ethylhexyl)cyclohex-4-ene-1,2-dicarboxylate;4-cyclohexene-1,2-dicarboxylic di(2-ethylhexyl)ester;1,2,3,6-Tetrahydrophthalic acid bis(2-ethylhexyl) ester;4-Cyclohexene-1,2-dicarboxylic Acid Bis(2-ethylhexyl) Ester;4-Cyclohexene-1,2-dicarboxylic Acid Di(2-ethylhexyl) Ester;4-Cyclohexene-1,2-dicarboxylic acid, di(2-ethylhexyl) ester;Bis(2-ethylhexyl) 4-Cyclohexene-1,2-dicarboxylate, >/=97%;cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-ethylhexyl) ester

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

Chemical Property:

• Vapor Pressure: 9.53E-09mmHg at 25°C
• Refractive Index: 1.4640-1.4670
• Boiling Point: 462.9°C at 760 mmHg
• Flash Point: 202 °C
• PSA: 52.60000
• Density: 0.97
• LogP: 6.08800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 394.30830982
• Heavy Atom Count: 28
• Complexity: 429

Purity/Quality:

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

Bis(2-ethylhexyl)Cyclohex-4-ene-1,2-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

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

There total 3 articles about Bis(2-ethylhexyl) 4-cyclohexene-1,2-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:

2-Ethylhexyl alcohol (104-76-7) + 1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) → di(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate (2915-49-3)

Guidance literature:

tin oxide; In xylene; at 220 ℃; for 21h; under 150.015 Torr; Product distribution / selectivity; Dean-Stark trap;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + 2-methyl-propan-1-ol (78-83-1) + 1,2,3,6-Tetrahydrophthalic anhydride (85-43-8) → (isobutyl)(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate + di(2-ethylhexyl) 4-cyclohexene-1,2-dicarboxylate (2915-49-3) + diisobutyl 4-cyclohexene-1,2-dicarboxylate (81667-22-3)

Guidance literature:

2-methyl-propan-1-ol; 1,2,3,6-Tetrahydrophthalic anhydride; at 130 ℃; for 1h;

2-Ethylhexyl alcohol; tin hydroxide; at 220 ℃; for 7h; under 150.015 Torr; Product distribution / selectivity; Dean-Stark trap;

Reference yield:

C25H42O5 → C24H42O4 (2915-49-3)

Guidance literature:

With palladium on activated charcoal; In ethyl acetate; at 160 ℃; for 10h; Temperature; Inert atmosphere;

DOI:10.1002/anie.201801287

upstream raw materials:

2-Ethylhexyl alcohol

2-methyl-propan-1-ol

1,2,3,6-Tetrahydrophthalic anhydride

Refernces

• 1、 -. "Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester". Page/Page column 34-35. . Retrieved 2010/02/10.