636-53-3

Basic information

• Product Name: DIETHYL ISOPHTHALATE
• Synonyms: RARECHEM AL BI 0071;1,3-Benzenedicarboxylicacid,diethylester;Diethyl isophthlate;Diethylm-phthalate;Isophthalic acid, diethyl ester;isophthalicacid,diethylester;isophthalicaciddiethylester;DIETHYL ISOPHTHALATE
• CAS NO: 636-53-3
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• EINECS: 211-260-1
• Mol File: 636-53-3.mol

Chemical Properties

• Melting Point: 11.5°C
• Boiling Point: 302°C (estimate)
• Flash Point: 157.7 °C
• Appearance: Liquid
• Density: 1.1239
• Vapor Pressure: 0.00102mmHg at 25°C
• Refractive Index: 1.5080 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: DIETHYL ISOPHTHALATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL ISOPHTHALATE(636-53-3)
• EPA Substance Registry System: DIETHYL ISOPHTHALATE(636-53-3)

Safety Data

• Hazardous Substances Data: 636-53-3(Hazardous Substances Data)

Usage

Uses

Used in Plastics Industry:
Diethyl isophthalate is used as a plasticizer for the production of flexible PVC products, such as wire and cable insulation, flooring, and medical equipment. Its plasticizing properties enhance the flexibility and durability of these products, making them suitable for various applications.
Used in Perfumery Industry:
In the manufacturing of perfumes, Diethyl isophthalate is used as a solvent. Its ability to dissolve various fragrance ingredients allows for the creation of a wide range of scents and ensures even distribution of the fragrance throughout the product.
Used in Pesticide Industry:
Diethyl isophthalate is utilized as a solvent in the production of insecticides. Its solvent properties enable the effective incorporation of active ingredients, improving the performance and efficacy of the insecticides.
Used in Dye Industry:
In the dye manufacturing process, Diethyl isophthalate serves as a solvent. Its ability to dissolve dye components facilitates the production of various dyes with different properties and applications.
It is crucial to handle Diethyl isophthalate with care and follow safety guidelines to minimize potential health risks associated with skin, eye, and respiratory irritation.

InChI:InChI=1/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

Upstream product

• 64-17-5 ethanol 
• 121-91-5 isophthalic acid 
• 64-67-5 diethyl sulfate 
• 150-78-7 1,4-dimethoxybezene 
• 7732-18-5 water 
• 36438-66-1 1,3-bis(ethyl carboximidate)bezene dihydrochloride 
• 99-63-8 benzene-1,3-dicarbonyl dichloride 
• 3725-40-4 ethyl 1,3-cyclohexadiene-1-carboxylate 
• 623-47-2 propynoic acid ethyl ester 
• 881-99-2 1,3-bis-trichloromethyl-benzene 
• 108-46-3 recorcinol 
• 109-63-7 boron trifluoride diethyl etherate 
• 103-11-7 2-Ethylhexyl acrylate 
• 201230-82-2 carbon monoxide 

Downstream Products

• 2305-31-9 cis-cyclohexane-1,3-dicarboxylic acid 
• 18189-42-9 4-carboxybenzoic acid ethyl ester 
• 6781-42-6 1,3-diacetylbenzene 
• 4654-19-7 dinonyl phthalate 
• 79507-68-9 {3-[Hydroxy-bis-(1-methyl-1H-imidazol-2-yl)-methyl]-phenyl}-bis-(1-methyl-1H-imidazol-2-yl)-methanol 
• 4654-18-6 Dioctyl isophthalate 
• 121-91-5 isophthalic acid 
• 74380-71-5 3-hydroxycarbonyl-propiophenone 
• 58952-67-3 1,3-bis[1,1-diphenyl-1-hydroxymethyl]benzene 
• 10560-13-1 diethyl 5-nitro-isophthalate 
• 127437-29-0 diethyl 5-bromo-1,3-benzenedicarboxylate 
• 1740-57-4 isophthalamide 
• 127117-99-1 [3-(Hydroxy-diphenyl-methyl)-phenyl]-diphenyl-methanol; compound with propan-2-one 
• 42774-15-2 N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,3-benzenedicarboxamide 

Relevant articles and documents

Production of Copolyester Monomers from Plant-Based Acrylate and Acetaldehyde

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Unprecedented alkylation of carboxylic acids by boron trifluoride etherate

The alkylation of carboxylic acids by an ethyl moiety of boron trifluoride etherate in the absence of ethyl alcohol from the reaction system is unexpected and novel. Both aromatic and aliphatic carboxylic acids were clearly alkylated affording good yields in short reaction times with the exception of nicotinic acid that necessitated an overnight reaction. It was noted that while ortho-substituted hydroxyl groups of carboxylic acids investigated were not affected by alkylation, those of meta- and para-substituted carboxylic acids were partially etherified. Furthermore, the alkylation reaction was found to be compatible with a range of functional groups such as halogens, amino and nitro groups except for the alkene function of undecylenic acid that underwent polymerisation with concomitant alkylation of its carboxylic acid function.

SO2F2-Mediated One-Pot Synthesis of Aryl Carboxylic Acids and Esters from Phenols through a Pd-Catalyzed Insertion of Carbon Monoxide

A one-pot Pd-catalyzed carbonylation of phenols into their corresponding aryl carboxylic acids and esters through the insertion of carbon monoxide has been developed. This procedure offers a direct synthesis of aryl carboxylic acids and esters from inexpensive and abundant starting materials (phenols, SO2F2 and CO) under mild conditions. This method tolerates a broad range of functional groups and is also applicable for the modification of complicated natural products.

Electrolysis of trichloromethylated organic compounds under aerobic conditions catalyzed by the B12 model complex for ester and amide formation

The electrolysis of benzotrichloride at -0.9 V vs. Ag/AgCl in the presence of the B12 model complex, heptamethyl cobyrinate perchlorate, in ethanol under aerobic conditions using an undivided cell equipped with a platinum mesh cathode and a zinc plate anode produced ethylbenzoate in 56% yield with 92% selectivity. The corresponding esters were obtained when the electrolysis was carried out in various alcohols such as methanol, n-propanol, and i-propanol. Benzoyl chloride was detected by GC-MS during the electrolysis as an intermediate for the ester formation. When the electrolysis was carried out under anaerobic conditions, partially dechlorinated products, 1,1,2,2-tetrachloro-1,2-diphenylethane and 1,2-dichlorostilibenes (E and Z forms), were obtained instead of an ester. ESR spin-trapping experiments using 5,5,-dimethylpyrroline N-oxide (DMPO) revealed that the corresponding oxygen-centered radical and carbon-centered radical were steadily generated during the electrolyses under aerobic and anaerobic conditions, respectively. Applications of the aerobic electrolysis to various organic halides, such as substituted benzotrichlorides, are described. Furthermore, the formation of amides with moderate yields by the aerobic electrolysis of benzotrichloride catalyzed by the B12 model complex in the presence of amines in acetonitrile is reported.

Improvements in Diels-Alder cycloadditions with some acetylenic compounds under solvent-free microwave-assisted conditions: Experimental results and theoretical approaches

The Diels-Alder irreversible cycloadditions of 1,3-cyclohexadiene 1, 3-carbomethoxy-2-pyrone 2 and 2-methoxythiophene 3 with acetylenic dienophiles under solvent-free conditions are described. By strict comparisons with conventional heating under similar conditions, important specific microwave effects are revealed in the two last cases whereas they are absent in the first one. They are discussed in terms of asynchronous mechanisms in agreement with ab initio calculations at the HF/6-31G(d) level indicating dissymmetries in transition states. Specific MW effects can be understood by considering the enhancements in dipole moments from ground states to transition states.

Extended structures controlled by intramolecular and intermolecular hydrogen bonding: A case study with pyridine-2,6-dicarboxamide, 1,3-benzenedicarboxamide and N,N'-dimethyl-2,6-pyridinedicarboxamide

The small organic molecule pyridine-2,6-dicarboxamide, although known in the literature for some time, exhibits interesting and previously unexplored intermolecular and intramolecular hydrogen bonding both in solid state and in solution. With the aid of X-ray crystallography and variable-temperature NMR spectroscopy, we here demonstrate the presence of a very strong hydrogen bonding network for this molecule both in condensed state and solution. Furthermore, a novel extended hydrogen bonding graph-set has been derived for this molecule in crystalline state. Comparison of pyridine-2,6-dicarboxamide with 1,3-benzenedicarboxamide, where the intramolecular hydrogen bonding to the pyridine ring in the former has been removed, yields a different intermolecular hydrogen bonded structure in the solid state. A new graph-set has been determined for the extended structure of 1,3-benzenedicarboxamide in the solid state. In solution, 1,3-benzenedicarboxamide is shown to maintain a hydrogen bonding pattern that is weaker than that observed with pyridine-2,6-dicarboxamide. Replacement of one hydrogen on each carboxamide nitrogen of pyridine-2,6-dicarboxamide by a methyl group also alters the extended structure to a significant extent. In N,N'-dimethyl-2,6-pyridinedicarboxamide, the three-dimensional hydrogen bonding pattern observed with pyridine-2,6-dicarboxamide all but collapses to one-dimensional chains. (C) 2000 Elsevier Science B.V.

Thermal (iodide) and photoinduced electron-transfer catalysis in biaryl synthesis via aromatic arylations with diazonium salts

The dediazoniative arylation of various aromatic hydrocarbons (Ar'H) with diazonium salts (ArN2+) in acetonitrile can be readily effected to biaryls (Ar-Ar') in high yields, simply by the addition of small (catalytic) amounts of sodium iodide. [In the absence of Ar'H, the competitive iodination to ArI is nearly quantitative.] Iodide catalysis of biaryl formation is efficiently mediated by aryl radicals (Ar') that participate in an efficient homolytic chain process in which ArN2+ acts as a 1-electron oxidant. The complex kinetics of such an electron-transfer chain or ETC process (Scheme I) is quantitatively verified by computer simulation of the Ar'H-dependent (a) competition between arylation vs iodination and (b) catalytic efficiency of iodide. using the GEAR algorithms. ETC catalysis also pertains to the alternative photochemical procedure for arylation (in the absence of iodide), in which the deliberate irradiation of the charge-transfer band of the precursor complex (ArN2+, Ar'H) initiates the same homolytic chain arylation. The latter underscores the mechanistic generality of the ETC formulation for various types of catalytic dediazoniations of aromatic diazonium salts.