Diisobutyl hexahydrophthalate

Base Information

• Chemical Name: Diisobutyl hexahydrophthalate
• CAS No.: 70969-58-3
• Molecular Formula: C₁₆H₂₈O₄
• Molecular Weight: 284.396
• European Community (EC) Number: 275-069-5
• DSSTox Substance ID: DTXSID60887773
• Nikkaji Number: J288.709F
• Mol file: 70969-58-3.mol

Synonyms:70969-58-3;diisobutyl cyclohexane-1,2-dicarboxylate;Diisobutyl hexahydrophthalate;1,2-Cyclohexanedicarboxylic acid, bis(2-methylpropyl) ester;1,2-Cyclohexanedicarboxylic acid, diisobutyl ester;bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate;EINECS 275-069-5;MFCD30474813;1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester;EC 275-069-5;SCHEMBL234626;DTXSID60887773;AKOS028108488;Hexahydrophthalic acid diisobutyl ester;DS-3335;s10737;SY262873;CS-0163265;1,2-Cyclohexanedicarboxylic acid,bis-(2-methylpropyl)ester;1,2-BIS(2-METHYLPROPYL) CYCLOHEXANE-1,2-DICARBOXYLATE

Chemical Property of Diisobutyl hexahydrophthalate

Chemical Property:

• Vapor Pressure: 4.64E-05mmHg at 25°C
• Boiling Point: 349.7°C at 760 mmHg
• Flash Point: 162.6°C
• PSA: 52.60000
• Density: 1.01g/cm³
• LogP: 3.19120
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 18.31mg/L at 20℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 284.19875937
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

99.9% ^*data from raw suppliers

Diisobutylcyclohexane-1,2-dicarboxylate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C

Technology Process of Diisobutyl hexahydrophthalate

There total 3 articles about Diisobutyl hexahydrophthalate 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) + 2-methyl-propan-1-ol (78-83-1) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → diisobutyl hexahydrophthalate (70969-58-3) + (isobutyl)(2-ethylhexyl) 1,2-cyclohexanedicarboxylate + Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate (84-71-9)

Guidance literature:

2-methyl-propan-1-ol; 1,2-Cyclohexanedicarboxylic acid-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:

2-methyl-propan-1-ol (78-83-1) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → diisobutyl hexahydrophthalate (70969-58-3)

Guidance literature:

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

Reference yield:

isononanol (3452-97-9,140237-84-9,140237-85-0) + 2-methyl-propan-1-ol (78-83-1) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → diisobutyl hexahydrophthalate (70969-58-3) + (isobutyl)(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate + di(3,5,5-trimethylhexyl) 1,2-cyclohexanedicarboxylate

Guidance literature:

2-methyl-propan-1-ol; 1,2-Cyclohexanedicarboxylic acid-anhydride; at 130 ℃; for 1h;

isononanol; 2-methyl-propan-1-ol; tin oxide; at 220 ℃; for 10h; under 150.015 Torr; Product distribution / selectivity; Dean-Stark trap;

upstream raw materials:

2-methyl-propan-1-ol

1,2-Cyclohexanedicarboxylic acid-anhydride

2-Ethylhexyl alcohol

isononanol

Refernces