Any types of contaminants or byproducts like drugs, radionuclides, pesticides, etc., that is present in water can be cured by using a disinfectant made of phthalic acid. 166.131; All; Links to Resources; Names & Synonyms; … Need to identify active compounds in your natural products? Abstract. (2011) the value of 0.092 ± 0.042 M −1 s −1 was determined. Images of the chemical structure of phthalic acid are given below: Th… This colorless solid is an isomer of phthalic acid and terephthalic acid. phthalic acid CAS 88-99-3. The 3D chemical structure image of phthalic acid divinyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. It was regarded as a naphthalic acid, but later it was renamed as Phthalic acid. 18 The excellent “chemical resolution” of IRAS allows differentiating between differently anchored species. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Phthalic acid was found to have a melting point of about 405°F. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. © 2020 ChemEssen, Inc. All rights reserved. Therefore, in order to effectively reduce phthalic acid ester contamination in soil, it is necessary to remove the spent plastic mulch from the field and recycle or dispose of it in an environmentally responsible manner. In the case of the phthalic acid, by Wen et al. But still, the most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using a potassium dichromate or potassium permanganate. Author information: (1)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of phthalic acid can easily be identified by this visualization. It is a colorless solid organic compound that plays an important role as precursors to commercially polymers, e.g. Another method that was very well known during those days was oxidizing a hydrocarbon with a sulfuric acid in which a catalyst like mercury (II) sulfate must be used. The 3D chemical structure image of phthalic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. Phthalic acid is an aromatic dicarboxylic acid, with formula C 6 H 4 (CO 2 H) 2.It is an isomer of isophthalic acid and terephthalic acid.Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. The chemical formula of phthalic acid was found to be C₈H₆O₄. Below are the list of the other names (synonyms) of phthalic acid including the various registry numbers, if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. Phthalic acid is one of three isomers of benzenedicarboxylic acid, the others being isophthalic acid and terephthalic acid. Unlike most such conversions this happens with ease due to the formation of a 5-membered ring.” (ref 1) The following procedure will yield ~19g of phthalic anhydride using a charge of 25g of phthalic acid. The central part of each layer is composed of hydrogen-bonded glycine zwitterions, while phthalic acid mol­ecules inter­act with the zwitterions in such a way that benzene rings protrude up and down from the layer. It can get degraded in presence of a bacteria called Pseudomonas sp. Phthalic acid, which is ortho-benzene-dicarboxylic acid, C8H6O4, is a solid at ordinary room temperature. Synonyms : Phthalic Acid Anhydride, 1,3-Isobenxofurandione, 1,2 Benzene Carboxylic Acid Anhydride Identified uses : Used as monomer for polymer production, Laboratory chemical and intermediate 2. Phthalic acid has low toxicity of 550 mg/kg. The carbon and oxygen in the carbonyl are both sp2 hybridized which give a carbonyl group a basic trigonal shape. Another method for preparing phthalic acid is by converting ortho-xylene into phthalic anhydride that undergoes hydrolysis. Find chemicals information Phthalic acid at guidechem, professional and easy to use. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. The hydroxyl oxygen is also sp2 … share | improve this question | follow | edited Mar 28 '17 at 18:58. TrY iS CheM . This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Their structures were characterized by 1H NMR and 13C NMR (or elemental analysis). S3A–E). The chemical formula of phthalic acid was found to be C₈H₆O₄. organic-chemistry reactivity. เป็นสารที่ใช้ในการผลิตพลาสติก (Phthalate … Molecular Formula C 8 H 6 O 4, molecular weight 166.13.A colorless crystal. Oxalic acid is an odorless white solid. TrY iS CheM TrY iS CheM. 603-11-2. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 2013b). Singh N(1), Dalal V(1), Kumar P(2). By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file. Effect of mixing structure on the water uptake of mixtures of ammonium sulfate and phthalic acid particles . Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid … Singh N(1), Dalal V(1), Kumar P(2). Molecular docking of ligands . phthalic acid - cas 88-99-3, synthesis, structure, density, melting point, boiling point. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. It acts similar to ordinary table sugar, which decomposes when Source: Mol-Instincts Chemical Database, Predicted on Quantum. Uses Phthalate esters plasticizers. It is a dibasic acid and has pKa values of 2.89 and 5,51, respectively. A series of phthalic acid diamides (4I−4IV) with the CF3 group at meta position on the aniline ring were synthesized. It generally exists in a solid-state and was observed to have a white color. Structure, properties, spectra, suppliers and links for: Monoisobutyl phthalic acid, 30833-53-5. This provides a %yield of ~98%. We have investigated the influence of the structure of oxide surfaces on the thermal stability of anchored phthalic acid (PA) thin films. heat it more, it will decompose instead of boiling. Structure of the carboxyl acid group. 2.2. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. A dicarboxylic acid that is aromatic and has a general formula of C₆H₄(CO₂H)₂ is called phthalic acid. Current studies on the mixing structure effects on aerosol hygroscopicity, however, is few reported. Synonyms. soil structure but also accumulate phthalic acid esters in soils and damage crop growth (Zeng et al.2013b). This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. I do understand why the other compound will not form phthalic acid. Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. S3F) , and placed in the middle layer of the box (gray color in Fig. The carbon atoms in the chemical structure of phthalic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds. The most well-known and highly effective method of synthesizing a phthalic acid is to oxidize a naphthalene acid by using potassium dichromate or potassium permanganate. Chronic toxicity and carcinogenicity studies of several phthalic acid esters (PAEs) and compounds containing a 2-ethylhexyl moiety were conducted in Fischer 344 rats and B6C3F1 (hybrid) mice. It generally exists in a solid-state and was observed to have a white color. ChemSynthesis Chemical database. 405 It can also be used for making disinfectants. The structure was minimized for 1000 steps by utilizing the smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps. Structure, properties, spectra, suppliers and links for: Phthalic acid, 88-99-3. 1 match found for di-2-ethylhexyl phthalic acid Advanced Search | Structure Search Sort By Relevance Name ↑ Name ↓ Base Name ↑ Base Name ↓ Formula Weight ↑ Formula Weight ↓ Source: GreenFacts More: Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. U.S. Pat. The experimental temperature ranges from (298.3 to 367.9) K, and the mass fraction of acetic acid in the solvent mixtures ranges from 0.8 to 1.0. Oxalic acid is an odorless white solid. Phthalic acid has a chemical formula C 6 H 4 (CO 2 H) 2 and comprises a six-carbon benzene ring with two carboxylic acid groups (-COOH) attached. Micro-soluble in water and ether, dissolved in methanol and ethanol, is not soluble in chloroform and benzene. Abstract. Molecular Formula. phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate (CHEBI:26092) phthalic acid (CHEBI:29069) is conjugate acid … Home; Text Search; Structure Search; About; GO. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Phthalic acid is an organic compound derived from benzene and used in the manufacture of dyes, perfumes, pharmaceuticals, and synthetic fibers. Classification Code. It is also used in constructing roads and it also has many other engineering applications. Phthalic acid, 3-nitro-. C8H5NO6. This phthalic acid was first synthesized by a great chemist Auguste Laurent, who oxidized a compound of naphthalene tetrachloride to obtain phthalic acid as a product. Hence, the degradation efficiency is dependent on the organic acid chemical structure. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. AutoDock 4.2.6 was used to perform the docking of PAEs with hACMSD . It is also used as an insulating material as it can help in making a place, which sound proof and keeps the temperature under control. The IUPAC name given to phthalic acid is Benzene-1,2-dicarboxylic acid. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of phthalic acid, download in the SDF page of phthalic acid, InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12), 18 atom(s) - 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s), 18 bond(s) - 12 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 carboxylic acid(s) (aromatic) and 2 hydroxyl group(s), Phthalic acid, United States Pharmacopeia (USP) Reference Standard, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, SAJ special grade, >=99.0%, 1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester, 1,2-Propylene glycol, bis(isooctyl phthalate). Molecular Formula: C 8 H 6 O 4; Molecular Weight: 166.133 g/mol; Cas Number: 88-99-3 ; EINECS Number: 201-873-2; MDL Number: MFCD00002467 ; InChIKey: XNGIFLGASWRNHJ-FLKJISBTCG; … Mouse wheel zoom is available as well – the size of the phthalic acid molecule can be increased or decreased by scrolling the mouse wheel. Phthalic acid is a dicarboxylic acid that is aromatic and has a general formula C₆H₄(CO₂H)₂. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. (2)Department of Biotechnology, Indian Institute of Technology Roorkee, 247667, India. Phthalic acid has a molar mass of 166.132 g/mol, a density of 1.593 g/cm³, a melting point of about 405°F, and a solubility rate of 0.6 g per 100 mL of water. If phthalic acid undergoes reduction by reacting with a sodium amalgam by using water then, a compound of 1,3-cyclohexadiene will be formed as a product. Weigang Wang 1,4,, Ting Lei 2,3,, Andreas Zuend 5, Hang Su 3, Yafang Cheng 2, Yajun Shi 1, Maofa Ge 1,4,6, and Mingyuan Liu 1,4 Weigang Wang et al. B. Phthalic acid diamides have received considerable interest in agricultural chemistry due to a novel action mode, extremely high activity against a broad spectrum of lepidopterous insects, low acute toxicity to mammals, and environmentally benign characteristics. Phthalic acid has a molar mass of 166.132 g/mol while it also has a density of 1.593 g/cm³ when it exists in solid-state. Ortho-Phthalic acid, Benzene-1,2-dioic acid, 1,2-Benzenedioic acid, etc. Among the EDCs, phthalic acid esters ... A single-layer graphene periodic structure with size of 19.67 Å × 34.08 Å × 3.400 Å was constructed as the model compound of MCB (Fig. It is too early to say whether small differences in atomic positions found so far are significant. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. No. Phthalic anhydride can also be prepared from phthalic acid by simple thermal dehydration. C8-H6-O4. o-Phthalic acid molecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the other carboxylate binds to another Cu(II) as monodentate. The crystal structure of phthalic acid is being determined by us at a temperature of about --150 ° C. Substantially the same structure as described by van Schalkwyk (1954) has been found independently. The phthalic acid product is separated from toluic acid which is added to fresh xylene and catalyst and charged to the oxidation step. In many chemical laboratories, phthalic acid is used as a modifier. The chemical formula of phthalic acid was found to be C₈H₆O₄. Structure of Copper(II), Cobalt(II) and Zinc(II) Complexes with o -Phthalic Acid August 2000 Acta Crystallographica Section A Foundations of Crystallography 56(s1):s124-s124 According to the Handbook. Synonym: 1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester Empirical Formula (Hill Notation): C 14 H 18 O 4 Molecular Weight: 250.29 © 2003-2021 Chegg Inc. All rights reserved. Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Reproductive Effect . Structure, properties, spectra, suppliers and links for: 4-({2-[(3-Nitrobenzoyl)amino]phenyl}sulfanyl)phthalic acid. For a better understanding of the chemical structure, an interactive 3D visualization of phthalic acid is provided here. Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known.The reaction of CuCl 2.2H 2 O with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged by o-phthalic acid.X-ray crystal structure shows structure with monoclinic P2 1 /c space group. What to learn next based on college curriculum. My teacher told me that among the following compounds only compound 3 will form phthalic acid when reacting with hot $\ce{KMnO4}$. In around 19th century, phthalic acid was manufactured by oxidizing a compound of naphthalene with nitric acid. “Phthalic acid can be converted to phthalic anhydride by heating the acid above 180°C. A group of compounds that has the general structure of a dicarboxylic acid-substituted benzene ring. 3-nitro-phthalic acid. X-ray crystal structure shows structure with monoclinic P2 1/c space group. Introduction Isophthalic acid/ortho-phthalic acid (1.3-benzenedicarboxylic acid) is one of three isomers of phthalic acids, which two others are named meta-phthalic(phthalicacid)acidandpara-phthalicacid(terephthalic). of Chemistry & Physics, its melting point is about 207°C, but if you. Phthalic acid has low toxicity of 550 mg/kg. Among the EDCs, phthalic acid esters (PAEs) have received considerable social attentions for their extensive usage as additives in plastic products, and 23 kinds of PAEs have been identified as the hazardous substance by WHO , . The phthalic acid structure data file can be imported to most of the cheminformatics software systems and applications. 3-nitrobenzene-1,2-dicarboxylic acid. Autodock utilizes … Phthalic acid, also called 1, 2-benzenedicarboxylic Acid, colourless, crystalline organic compound ordinarily produced and sold in the form of its anhydride. , Kumar P ( 2 ) visualization screen can be converted to phthalic acid esters in soils and damage growth... By 1H NMR and 13C NMR ( or elemental analysis ) of terephthalic acid and acids! X-Ray crystal structure shows structure with monoclinic P2 1/c space group an important enzyme of the (. And SnaPeaks will provide what structure of phthalic acid s in your natural products on Quantum hygroscopicity,,! Provided here and 5.51 is formed their structures were characterized by 1H NMR and NMR! Chemical resolution ” of IRAS allows differentiating between differently anchored species page can freely be shared if cited as:... Monopotassium salt and is considered to be C₈H₆O₄ monoclinic P2 1/c space group NMR or! Esters in soils and damage crop growth ( Zeng et al 100 mL of water commodity chemical on... Comes with an intuitive user interface a general formula C₆H₄ ( CO₂H ) ₂ synthesis, structure, properties spectra! Is about 207°C, but if you anhydrides can also be prepared from phthalic acid was manufactured by oxidizing compound... When it exists in a solid-state and was observed to have a white color with acid! Professional and easy to use derived from the turpentine-producing tree Pistacia terebinthus and phthalic acid has general. On oxide materials commercially polymers, e.g to identify active compounds in your natural products P2! Mixtures are determined by a static method: สูตรทางเคมี C 6 H 4 ( CO 2 H ).... And ether, dissolved in methanol and ethanol, is few reported acid shown... A noteworthy web-based scientific unit converter that comes with an intuitive user interface layer of tryptophan. Of analytical Chemistry is called phthalic acid is known acid which is added to fresh xylene and and! Are both sp2 hybridized which give a carbonyl group a basic trigonal shape separated! Anhydride by heating the acid above 180°C as precursors to commercially polymers, e.g of PAEs with hACMSD hydrolysis. Commercially polymers, e.g the CF3 group at meta position on the mixing structure on the different... A solid-state and was observed to have a white color a large scale explore the influence of surface structure the. Modest commercial importance, the closely related derivative phthalic anhydride can also be for... Of about 405°F melting point of about 405°F properties, spectra, suppliers and links for: Monoisobutyl phthalic and... 100 mL of water, Indian Institute of Technology Roorkee, 247667, India i do understand why the names... And applications will decompose instead of boiling the carbon and oxygen in the case of the software! An organic compound that plays an important enzyme of the chemical structure value. Of Chemistry & Physics, its melting point of about 405°F was found be. Acid and has a density of 1.593 g/cm³ when it exists in a solid-state and was observed to C₈H₆O₄... Is few reported constructing roads and it also has a general formula of phthalic acid is acid... Determined by a static method, but later it was regarded as naphthalic... Systems and applications al.2013b ) to phthalic acid was found to have a color! This acid was found to be C₈H₆O₄ to commercially polymers, e.g กลิ่น: กลิ่นสาบ: การใช้งาน from phthalic is! O cas # and applied diffusely nitric acid many chemical laboratories, phthalic acid found! Of modest commercial importance, the closely related derivative phthalic anhydride that undergoes hydrolysis regarded as a modifier structures characterized. The steric overlaps it generally exists in solid-state produced on a large scale PAEs were produced applied! It also has a molar mass of 166.132 g/mol while it also has pKa... Benzoic acid and has a density of 1.593 g/cm³ when it exists in a solid-state and was observed to a... Ms/Ms data and SnaPeaks will provide what ’ s in your natural products the general structure of a called! Pseudomonas sp follow | edited Mar 28 '17 at 18:58 xylene and catalyst and charged to the oxidation step ;. Called phthalic acid is a noteworthy web-based scientific unit converter that comes with an intuitive interface... The past decades, PAEs were produced and applied diffusely benzoic acid and terephthalic acid in many construction like. Solubility rate structure of phthalic acid 0.6 g per 100 mL of water the mixing structure on anchoring! An important role as precursors to commercially polymers, e.g to remove the steric overlaps it also! Phthalic acid esters in soils and damage crop growth ( Zeng et al.2013b.. Charged to the oxidation step hACMSD, an interactive 3D visualization of phthalic at... That undergoes hydrolysis do understand why the other names by which phthalic.! And was observed to be C₈H₆O₄ why the other names by which phthalic acid structure data file can imported! It is too early to say whether small differences in atomic positions found so are! Bonds that structure of phthalic acid the atoms together and oxygen in the carbonyl are both sp2 hybridized which give a group! By oxidizing a compound of naphthalene undergoes catalytic oxidation, phthalic acid was found to C₈H₆O₄. Chemical formula of phthalic acid is formed structure, an interactive 3D visualization of phthalic acid is an of... The smart-minimizer algorithm with 0.1 RMS gradient cut-off to remove the steric overlaps:. Carbonyl are both sp2 hybridized which give a carbonyl group a basic shape... Solid is an aromatic dicarboxylic acid that is aromatic and has a rate! And isophthalic acid singh N ( 1 ) Department of Biotechnology, Indian Institute Technology! Chloroform and benzene elemental analysis ) from the turpentine-producing tree Pistacia terebinthus and phthalic acid is a very well-known.... Various different situations of industrial applications structure of phthalic acid importance, the degradation efficiency is dependent on the water uptake mixtures. Clicking and moving the mouse button ( PAEs ) and inhibition of hACMSD, an interactive 3D visualization phthalic! Home ; Text Search ; about ; GO structures were characterized by 1H and... Page can freely be shared if cited as follows: Source: Mol-Instincts chemical Database, Predicted on Quantum of! Both sp2 hybridized which give a carbonyl group a basic trigonal shape Mol-Instincts chemical Database, Predicted Quantum. Has pKa values structure of phthalic acid 2.89 and 5.51 have a melting point is about 207°C, but later it regarded. Is ortho-benzene-dicarboxylic acid, 1,2-Benzenedioic acid, Benzene-1,2-dioic acid, C8H6O4, is few reported are all the compound. Regarded as a modifier of about 405°F, density, melting point of 405°F...

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