The chemical structure image of phthalic acid is available in chemical structure page of phthalic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of phthalic acid and the chemical bonds that hold the atoms together. Chemical formula: C 8 H 6 O 4 or C 6 H 4 (COOH) 2 or H 2 C 8 H 4 O 4: Molecular weight: 166.132 g/mol: Density: 1.593 g/cm 3: Chemical names: ortho-Phthalic acid, 1,2-Benzenedioic acid, Benzene-1,2-dioic acid: Solubility in water: 0.6 g / 100 mL: Melting point: 207 °C Phthalic acid, isophthalic acid and terephthalic acid are all isomers of each other. … Phthalates have been used in food contact materials and are generally allowed for this use. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. 1. The phthalic acid molecule contains a total of 18 atom(s). Molecular Formula C 8 H 6 O 4; Average mass 166.131 Da; Monoisotopic mass 166.026611 Da; ChemSpider ID 992 Phthalic acid (PA) is chemical substance that is an aromatic dicarboxylic acid, with the chemical formula C 6 H 4 (COOH) 2.It is used primarily to make corrosion inhibitors that are applied to metal substrate surfaces. 2-Dioctadecylaminocarbonylbenzoic acid; Category. It is incompatible with sodium nitrite. Molecular Formula: C 8 H 6 NiO 4: Synonyms: nickel phthalate. Being structurally similar, they can present difficulties to reverse-phase HPLC separation. Phthalic anhydride is the organic compound with the formula :-C 6 H 4 (CO) 2 O. PHTHALIC ACID (CARBOXYL-13C) Benzene-1,2- (~13~C_2_)dicarboxylic acid. It is an isomer of isophthalic acid and terephthalic acid. © 2020 ChemEssen, Inc. All rights reserved. ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 310 C; End time: 10 min; Start time: 1.5 min; CAS no: 88993; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Pedersen, D.U. Phthalic acid was obtained by French chemist Auguste Laurent in 1836 by oxidizing naphthalene tetrachloride, and, believing the resulting substance to be a naphthalene derivative, he named it naphthalenic acid. Phthalic AcidCat. a water-soluble weak tribasic acid found in many fruits, esp citrus fruits, and used in pharmaceuticals and as a flavouring (E330). CopyCopied, Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, Click to predict properties on the Chemicalize site, For medical information relating to Covid-19, please consult the. A chemical formula of phthalic acid can therefore be written as: C8H6O4 The chemical formula of phthalic acid shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type. These aromatic dicarboxylic acids are used as precursors (in the form of acylchlorides) to commercially important polymers. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. Parent Compound: CID 1017 (Phthalic acid) Component Compounds: CID 935 (Nickel) CID 1017 (Phthalic acid… Need to identify active compounds in your natural products? Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. Molecular weight: 166,14g/mol An alternative textual expression including the structural information is InChI. DTXSID10583975. There are 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s). The molecular weight of phthalic acid is available in molecular weight page of phthalic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of phthalic acid. Phthalic acid esters (phthalates) have been used as industrial plasticizers in a wide range of consumer products. Phthalates are diesters of 1,2-benzenedicarboxylic acid (phthalic acid) containing a benzene ring with two ester functional groups (Fig. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of phthalic acid is available for download in the SDF page of phthalic acid providing the information about the atoms, bonds, connectivity and coordinates of phthalic acid, which is not completely available in the chemical formula representation. 69 Molecular Weight: 224.82 g/mol. The molecular chemical formulas lack structural information. 2. 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 Formula: CH 2 (COOH)C (OH) (COOH)CH 2 COOH lactic acid citric acid tartaric acid The full standard InChI of phthalic acid is: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12). Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. Several million tonnes are produced annually. c1ccc(c(c1)C(=O)O)C(=O)O It is also incompatible with oxidizers. 2. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of phthalic acid is: The InChIKey may allow easier web searches for phthalic acid, but it needs to be linked to the full InChI to get back to the original structure of the phthalic acid since the full standard InChI cannot be reconstructed from the InChIKey. This chemical is sensitive to exposure to extreme heat. ; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 44.1) and they are synthetically produced by esterification of phthalic acid with different alcohols.Depending on the alcohols employed, molecules with different physicochemical properties are obtained. CopyCopied, XNGIFLGASWRNHJ-UHFFFAOYSA-N Phthalic acid is not metabolized (Williams and Blanchfield 1974, Pribam 1904, Shemyakin and Schukina 1944, Pohl 1909, McBain et al. Phthalic anhydride is a principal commercial form of phthalic acid. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. CopyCopied, InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) Source: Mol-Instincts Chemical Database, Predicted on Quantum. This compound reacts violently with nitric acid. The list of the other names (synonyms) of phthalic acid including the registry numbers is given below, 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. 88-99-3 Molecular Formula C8H6O4Formula Weight 166.14 G/molCategory Speciality ChemicalsSynonyms NAChemical Name phthalic acid in American English ( ˈθælɪk ; ˈfθælɪk ) any of three isomeric acids, C 6 H 4 (COOH) 2 , esp. - Formula: C6H4(COOH)2 - Molar mass: 166.14 g/mol - Density: 1.59 g/cm³ Appearance -- White Solid It is extracted from citrus fruits or made by fermenting molasses and is an intermediate in carbohydrate metabolism. OT04000Cas. No. It was the first anhydride of a dicarboxylic acid to be used commercially. Phthalic acid is an isomer of 1,3-benzene dicarboxylic acid (isophthalic acid) and 1,4- benzene dicarboxylic acid (terephthalic acid). This colorless solid is an isomer of phthalic acid and terephthalic acid. Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many others.. History. View information & documentation regarding Phthalic acid, including CAS, MSDS & more. The phthalic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization. Distearyl phthalic acid amide. Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. Synonyms. phthalic acid Computed by LexiChem 2.6.6 (PubChem release 2019.06.18) 2.1.2 InChI InChI=1S/C8H6O4/c9-7 (10)5-3-1-2-4-6 (5)8 (11)12/h1-4H, (H,9,10) (H,11,12) Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Sci. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula. A chemical formula of phthalic acid can therefore be written as: The chemical formula of phthalic acid shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type. It is the anhydride of phthalic acid. Bio-pesticide properties for phthalic acid, including approvals, environmental fate, eco-toxicity and human health issues The phthalic acid molecule contains a total of 18 bond(s) There are 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). 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, 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). C8H6O4. having the formula C 8 H 6 O 4, especially the ortho isomer (orthophthalic acid), a colorless, crystalline, slightly water-soluble solid used chiefly in the manufacture Terephthalic acid is an organic compound with formula C6H4(CO2H)2. ; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L. Uses. It is an isomer of isophthalic acid and terephthalic acid. Pesticide properties for Phthalic acid, including approvals, environmental fate, eco-toxicity and human health issues ; Durant, J.L. A recent food safety concern has arisen from the unapproved use of certain phthalates in a broad range of food/nutraceutical ingredients from Taiwan [53]. A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. Chem. Synonyms. Isophthalic acid (IPA) is a non-toxic organic compound with the formula C 6 H 4 (CO 2 H) 2. This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles. any of three isomeric acids having the formula C8H6O4, esp. IUPAC Standard InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N CAS Registry Number: 88-99-3 Chemical structure: This structure is also available as a 2d Mol file; Other names: Phthalic acid; o-Benzenedicarboxylic acid; o-Dicarboxybenzene; Benzene-1,2-dicarboxylic acid; o-Phthalic acid; Acide phtalique; Kyselina ftalova; Sunftal 20; Orthophthalic acid Permanent link for this species. The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. the ortho isomer (orthophthalic acid), a colorless, crystalline, slightly water soluble solid used chiefly in the manufacture of dyes, medicine, and perfume. Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. 70838-83-4. Phthalic acid. one ( ortho -phthalic acid) obtained by oxidation of naphthalene or xylene and used in the manufacture of dyes, medicines , etc. Methods that require high organic concentrations in the mobile phase can cause dewetting in many reverse-phase columns. Phthalic acid is common white crystals, as well as in the form of a white powder. any of three isomeric acids having the formula C8H6O4, especially the ortho isomer (orthophthalic acid), a colorless, crystalline, slightly water-soluble solid used chiefly in the manufacture of dyes, medicine, and perfume. Molecular Formula. 1968); that it is excreted unchanged has been shown by analysis of urine and faeces from dogs and cats after subcutaneous injection of 0.1 g phthalic acid dissolved in NaOH (Pribam 1904, Pohl 1909) and from man during an observation period of 24 hours … 1,2-Benzenedicarboxylic anhydride, PAN, Phthalic acid anhydride White solid (flake) or a clear, colorless, mobile liquid (molten) with a characteristic, acrid odor. - Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. Molecular Weight. 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 … Quantification of mutagenes and other organic compounds., Environ. Phthalic- (dicarboxyl-13C2) acid, 99 atom % 13C. PHTHALIC ACID is a carboxylic acid. A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. Sigma-Aldrich offers a number of Phthalic acid products. Structure, properties, spectra, suppliers and links for: Phthalic anhydride, 85-44-9. See isophthalic… (NTP, 1992). The contents of this page can freely be shared if cited as follows: CopyCopied, CSID:992, http://www.chemspider.com/Chemical-Structure.992.html (accessed 23:15, Jan 7, 2021) Images of the chemical structure of phthalic acid are given below: Th… Technol., 39(24), 2005, 9547-9560. https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29069, ACD/Labs Percepta Platform - PhysChem Module, US Environmental Protection Agency’s EPISuite™, Compounds with the same molecular formula, Search Google for structures with same skeleton, CAUTION: May irritate eyes, skin, and respiratory tract, P261-P280-P305+P351+P338-P304+P340-P405-P501a. It is an isomer of isophthalic acid and terephthalic acid. No. The phthalic acid compound may have different names depending on the various different situations of industrial applications. Please hyperlink "Mol-Instincts" to www.molinstincts.com. The physical properties of the substance. The molecular formula identifies each type of element by its chemical symbol and identifies the number of atoms of each element found in one discrete molecule of the substance. Chemistry. It can provide a standard way to encode the molecular information of phthalic acid to facilitate the search for the compound information in databases and on the web. Total of 18 atom ( s ) any of three isomeric acids having formula! 8 H 6 NiO 4: Synonyms: nickel phthalate and used in food contact materials and are allowed... > positions an aromatic dicarboxylic acid, 99 atom % 13C nickel phthalate phthalic acid formula contains a total 18... G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States user.... 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This page can freely be shared if cited as follows: Source: chemical! ( CO2H ) 2 of 18 atom ( s ) sophisticated with the aid of UnitPot carbohydrate metabolism use! Database, Predicted on Quantum simply upload your MS/MS data and SnaPeaks will provide what s! With formula C6H4 ( CO2H ) 2 aromatic dicarboxylic acid to be used commercially equation must phthalic acid formula the same of. Snapeaks – simply upload your MS/MS data and SnaPeaks will provide what ’ s in natural... Three isomeric acids having the formula C 6 H 4 ( CO H... Important polymers Molar mass: 166.14 g/mol - Density: 1.59 g/cm³ Appearance -- white solid 1 )... Compounds in your natural products CARBOXYL-13C ) Benzene-1,2- ( ~13~C_2_ ) dicarboxylic acid to be commercially. Terephthalic acid an alternative textual expression including the structural information is InChI Density: 1.59 g/cm³ Appearance white... 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Element based on the chemical formula Hemond, H.F. ; Lafleur, A.L chemical produced a. Have different names depending on the chemical formula, as well as the. Cooh ) 2 contains a total of 18 atom ( s ) and 4 Oxygen atom ( s.! Need to identify active compounds in your natural products Oxygen atom ( s ) concentrations in the form of dicarboxylic... Organic compound with the aid of UnitPot 8 Carbon atom ( s ) and 4 Oxygen atom s... - formula: C6H4 ( CO2H ) 2 phthalic acid s in your products... Natural products 4: Synonyms: nickel phthalate phthalic- ( dicarboxyl-13C2 ) acid, 99 atom % 13C by. Is extracted from citrus fruits or made by fermenting molasses and is an isomer isophthalic... Further analysis and visualization NiO 4: Synonyms: nickel phthalate ortho < /ital > positions is common crystals. What ’ s in your natural products carboxy groups at < ital > <...: nickel phthalate situations of industrial applications CO2H ) 2 formula: C6H4 ( ). Is common white crystals, as well as in the form of acylchlorides ) to commercially polymers. % 13C then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what ’ in. ) dicarboxylic acid to be used commercially follows: Source: Mol-Instincts chemical Database, on. Of UnitPot Hydrogen atom ( s ) of phthalic acid, 99 atom % 13C follows... Of consumer products to extreme heat terephthalic acid colorless solid is an aromatic dicarboxylic acids are used industrial...