131-20-4

Basic information

• Product Name: 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester
• CAS NO: 131-20-4
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Mol File: 131-20-4.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester(131-20-4)
• EPA Substance Registry System: 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester(131-20-4)

Safety Data

• Hazardous Substances Data: 131-20-4(Hazardous Substances Data)

Usage

Physical state

Clear, colorless, and odorless liquid

Solubility

Insoluble in water, soluble in most organic solvents

Molecular structure

Ester derived from 1,2-benzenedicarboxylic acid and 6-methylheptyl alcohol

Primary use

Plasticizer for polyvinyl chloride (PVC) products

Applications

Toys, food packaging, wire and cable insulation, flooring, and automotive parts

Properties

Low volatility, excellent resistance to oil and grease, improves flexibility and durability of PVC products

Regulatory status

Subject to scrutiny due to potential health risks, restricted in some countries for certain products, particularly those intended for children.

Upstream product

• 85-44-9 phthalic anhydride 
• 1653-40-3 6-methylheptanol 
• 95-47-6 o-xylene 

Relevant articles and documents

Dynamics of complex phthalate liquids. 2. Structural effects of side chains

In this paper, the second of a series of two presenting the structural effects on the dynamic properties of complex liquids, we discuss the effect of structural changes in the alkyl side chain on the macroscopic viscosity and microscopic motional behavior of phthalates. 13C NMR spin-lattice relaxation times and nuclear Overhauser enhancements of individual carbon nuclei of di-n-octyl phthalate (DNOP), di-n-hexyl phthalate (DHP), and bis(6-methylheptyl) phthalate (DIOP) have been measured as a function of temperature from -40 to 70 °C. Individual 13C peaks were unambiguously assigned by using 2D 1H-13C chemical shift correlation and specific relaxation of individual carbons in the alkyl chain of the molecule. In addition, the density and viscosity of these compounds as a function of temperature have been measured. The results were also compared with earlier experiments performed on bis(2-ethylhexyl) phthalate (DEHP). The optimized parameters of the Cole-Davidson distribution model obtained from the analysis of the 13C relaxation data provided the detailed information on the internal motions of the alkyl side chains. The NMR relaxation data and shear viscosity of the phthalate liquids were interpreted phenomenologically in terms of the alkyl side chain flexibility. The branching in the alkyl chain restricted the motional degree of freedom of the side chain, which made the molecule less flexible as a whole. The branching near the rigid part of the molecule was found to be more effective in restricting the internal motion of the alkyl chain.

Esterification by microwave irradiation on activated carbon

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