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

Base Information

• Chemical Name: Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate
• CAS No.: 166412-78-8
• Molecular Formula: C26H48 O4
• Molecular Weight: 422.64100
• Hs Code.: 2917209090
• 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: 166412-78-8.mol

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

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

Chemical Property:

• PSA: 80.26000
• Density: 0.93 g/cm3
• LogP: 5.02620
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99.9% ^*data from raw suppliers

Hexamoll ^*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: Hexamoll is one of the new plasticizers being used, which shows a structure similar to the most commonly used o-phthalates. It is favoured to substitute DEHP by DINCH as plasticizer for flexible poly(vinyl chloride). It is used as a plasticizer.