Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate

Base Information

• Chemical Name: Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate
• CAS No.: 318292-43-2
• Molecular Formula: C26H48O4
• Molecular Weight: 424.665
• European Community (EC) Number: 431-890-2,605-439-7,610-353-8
• UNII: H26MNT7GT7
• ChEMBL ID: CHEMBL3182578
• DSSTox Substance ID: DTXSID20274044
• Metabolomics Workbench ID: 156005
• Nikkaji Number: J2.003.784I
• Wikidata: Q161456
• Wikipedia: 1,2-Cyclohexane_dicarboxylic_acid_diisononyl_ester
• Mol file: 318292-43-2.mol

Synonyms:diisononyl 1,2-cyclohexanedicarboxylic acid;DINCH cpd;hexamoll

Chemical Property of Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate

Chemical Property:

• Boiling Point: 489.6±20.0 °C(Predicted)
• PSA: 52.60000
• Density: 0.951±0.06 g/cm3(Predicted)
• LogP: 7.09220
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 424.35526001
• Heavy Atom Count: 30
• Complexity: 416

Purity/Quality:

1,?2-?Bis(7-?methyloctyl)cyclohexyl-1,2-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
• Uses: 1,2-Bis(7-methyloctyl)cyclohexyl-1,2-dicarboxylate is a plasticizer used in flexible polyvinyl chloride applications.

Technology Process of Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate

There total 8 articles about Bis(7-methyloctyl) Cyclohexane-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: 98.7%

7-methyl-1-octanol (2430-22-0) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → 1,2-cyclohexane dicarboxylic acid di-isononylester (318292-43-2)

Guidance literature:

With acetic anhydride; at 180 - 230 ℃; for 3h; under 760.051 Torr; Temperature;

Reference yield: 97.0%

1,2-dichlorocyclohexane (1121-21-7) + isononylchloroformate → 1,2-cyclohexane dicarboxylic acid di-isononylester (318292-43-2)

Guidance literature:

1,2-dichlorocyclohexane; With magnesium; 1,1-dibromomethane; In toluene; at 60 ℃; Inert atmosphere;

isononylchloroformate; With aluminum (III) chloride; manganese(ll) chloride; In toluene; at -5 - 20 ℃; for 5h; Temperature; Inert atmosphere;

Reference yield: 97.0%

7-methyl-1-octanol (2430-22-0) + cyclohexane-1,2-dicarboxylic acid (1687-30-5) → 1,2-cyclohexane dicarboxylic acid di-isononylester (318292-43-2)

Guidance literature:

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

upstream raw materials:

diisonoyl phthalate

4-methyl-hexahydrophthalic anhydride

7-methyl-1-octanol

1,2-Cyclohexanedicarboxylic acid-anhydride