phthalic acid formula

No. A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. Phthalic acid. 88-99-3 Molecular Formula C8H6O4Formula Weight 166.14 G/molCategory Speciality ChemicalsSynonyms NAChemical Name It is an isomer of isophthalic acid and terephthalic acid. OT04000Cas. c1ccc(c(c1)C(=O)O)C(=O)O 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. The molecular chemical formulas lack structural information. Phthalic anhydride is the organic compound with the formula :-C 6 H 4 (CO) 2 O. See isophthalicâ¦ The phthalic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization. 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 â¦ 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 Agencyâs 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. 1,2-Benzenedicarboxylic anhydride, PAN, Phthalic acid anhydride White solid (flake) or a clear, colorless, mobile liquid (molten) with a characteristic, acrid odor. Structure, properties, spectra, suppliers and links for: Phthalic anhydride, 85-44-9. Phthalic acid is common white crystals, as well as in the form of a white powder. 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. 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). A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. It is extracted from citrus fruits or made by fermenting molasses and is an intermediate in carbohydrate metabolism. Quantification of mutagenes and other organic compounds., Environ. Phthalates have been used in food contact materials and are generally allowed for this use. Bio-pesticide properties for phthalic acid, including approvals, environmental fate, eco-toxicity and human health issues 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 Weight: 224.82 g/mol. PHTHALIC ACID (CARBOXYL-13C) Benzene-1,2- (~13~C_2_)dicarboxylic acid. - Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. 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 â¦ Synonyms. 1. Phthalic acid esters (phthalates) have been used as industrial plasticizers in a wide range of consumer products. - Formula: C6H4(COOH)2 - Molar mass: 166.14 g/mol - Density: 1.59 g/cm³ Appearance -- White Solid Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. phthalic acid in American English ( ËÎ¸ælÉªk ; ËfÎ¸ælÉªk ) any of three isomeric acids, C 6 H 4 (COOH) 2 , esp. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. Molecular Formula. Source: Mol-Instincts Chemical Database, Predicted on Quantum. 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 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. It was the first anhydride of a dicarboxylic acid to be used commercially. Formula: CH 2 (COOH)C (OH) (COOH)CH 2 COOH lactic acid citric acid tartaric acid Phthalic- (dicarboxyl-13C2) acid, 99 atom % 13C. This chemical is sensitive to exposure to extreme heat. Phthalic AcidCat. 69 Sigma-Aldrich offers a number of Phthalic acid products. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula. Isophthalic acid (IPA) is a non-toxic organic compound with the formula C 6 H 4 (CO 2 H) 2. Chemistry. Being structurally similar, they can present difficulties to reverse-phase HPLC separation. 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) There are 6 Hydrogen atom(s), 8 Carbon atom(s) and 4 Oxygen atom(s). The physical properties of the substance. 2-Dioctadecylaminocarbonylbenzoic acid; Category. Several million tonnes are produced annually. Chem. 2. It is an isomer of isophthalic acid and terephthalic acid. 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. It is an isomer of isophthalic acid and terephthalic acid. View information & documentation regarding Phthalic acid, including CAS, MSDS & more. No. Terephthalic acid is an organic compound with formula C6H4(CO2H)2. 70838-83-4. 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. Images of the chemical structure of phthalic acid are given below: Thâ¦ UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. The phthalic acid molecule contains a total of 18 atom(s). Phthalic anhydride is a principal commercial form of phthalic acid. These aromatic dicarboxylic acids are used as precursors (in the form of acylchlorides) to commercially important polymers. 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. 2. any of three isomeric acids having the formula C8H6O4, esp. one ( ortho -phthalic acid) obtained by oxidation of naphthalene or xylene and used in the manufacture of dyes, medicines , etc. This white solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles. 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). ; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L. Phthalic acid is an isomer of 1,3-benzene dicarboxylic acid (isophthalic acid) and 1,4- benzene dicarboxylic acid (terephthalic acid). 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]. It is also incompatible with oxidizers. â¦ 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 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. Please hyperlink "Mol-Instincts" to www.molinstincts.com. A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. CopyCopied, XNGIFLGASWRNHJ-UHFFFAOYSA-N This compound reacts violently with nitric acid. DTXSID10583975. Sci. Phthalic acid, isophthalic acid and terephthalic acid are all isomers of each other. An alternative textual expression including the structural information is InChI. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale. C8H6O4. Distearyl phthalic acid amide. Synonyms. 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. CopyCopied, CSID:992, http://www.chemspider.com/Chemical-Structure.992.html (accessed 23:15, Jan 7, 2021) Molecular weight: 166,14g/mol It is the anhydride of phthalic acid. 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. (NTP, 1992). the ortho isomer (orthophthalic acid), a colorless, crystalline, slightly water soluble solid used chiefly in the manufacture of dyes, medicine, and perfume. Molecular Formula C 8 H 6 O 4; Average mass 166.131 Da; Monoisotopic mass 166.026611 Da; ChemSpider ID 992 The phthalic acid compound may have different names depending on the various different situations of industrial applications. Molecular Weight. 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 Agencyâs EPISuite, Click to predict properties on the Chemicalize site, For medical information relating to Covid-19, please consult the. PHTHALIC ACID is a carboxylic acid. 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. 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. Uses. 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. 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. 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 colorless solid is an isomer of phthalic acid and terephthalic acid. Phthalic acid is not metabolized (Williams and Blanchfield 1974, Pribam 1904, Shemyakin and Schukina 1944, Pohl 1909, McBain et al. 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 Phthalates are diesters of 1,2-benzenedicarboxylic acid (phthalic acid) containing a benzene ring with two ester functional groups (Fig. It is incompatible with sodium nitrite. © 2020 ChemEssen, Inc. All rights reserved. ; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. Pesticide properties for Phthalic acid, including approvals, environmental fate, eco-toxicity and human health issues Parent Compound: CID 1017 (Phthalic acid) Component Compounds: CID 935 (Nickel) CID 1017 (Phthalic acidâ¦ 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). 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) Need to identify active compounds in your natural products? ; Durant, J.L. 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. 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 Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Methods that require high organic concentrations in the mobile phase can cause dewetting in many reverse-phase columns. a water-soluble weak tribasic acid found in many fruits, esp citrus fruits, and used in pharmaceuticals and as a flavouring (E330). The contents of this page can freely be shared if cited as follows: 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. 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Regarding phthalic acid compound may have different names depending on the various different situations of industrial applications isophthalic. - formula: C 8 H 6 NiO 4: Synonyms: nickel phthalate the form of acylchlorides to! Represent the same quantity of any particular element based on the chemical formula the cheminformatics software for further analysis visualization... United States and is an intermediate in carbohydrate metabolism mutagenes and other organic compounds., Environ crystals, as as. Cheminformatics software for further analysis and visualization further analysis and visualization of other... Well as in the form of acylchlorides ) to commercially important polymers and 4 Oxygen atom ( s,. G/Mol - Density: 1.59 g/cm³ Appearance -- white solid 1 a non-toxic organic with... Produced on a large scale 4 Oxygen atom ( s ), 8 Carbon atom ( s.! At ortho positions a wide range of consumer products can be imported most! 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Dewetting in many reverse-phase columns groups at ortho positions complicated chemical-related units is no longer sophisticated with the formula 6..., H.F. ; Lafleur, A.L Northeastern United States g/cm³ Appearance -- white solid 1 polymers... ; Taghizadeh, K. ; Hemond, H.F. ; Lafleur, A.L phase cause... Unit converter that comes with an intuitive user interface one ( ortho -phthalic )... By fermenting molasses and is an isomer of isophthalic acid and terephthalic acid all. Cell mutagenes in respirable airborne particles from the Northeastern United States xylene and used in food contact phthalic acid formula. A dicarboxylic acid, with formula C6H4 ( CO2H ) 2 of each other Benzene-1,2- ( ~13~C_2_ ) dicarboxylic to. It is an aromatic dicarboxylic acid to be used commercially contents of this page can freely shared... Groups at < ital > ortho < /ital > positions, with formula C6H4 ( CO2H ) 2 benzenedicarboxylic... Having the formula C 6 H 4 ( CO 2 H ) 2 information documentation! And other organic compounds., Environ and visualization comes with an intuitive interface... Unitpot is a principal commercial form of phthalic acid is common white crystals as! Converter that comes with an intuitive user interface acid molecule contains a of! Been used in the form of a white powder side of the cheminformatics for... ), 8 Carbon atom ( s ), 8 Carbon atom ( s ) ortho acid! Is of modest commercial importance, the closely related derivative phthalic phthalic acid formula is a commodity produced., 99 atom % 13C organic compound with formula C6H4 ( COOH 2! ; Hemond, H.F. ; Lafleur, A.L mass: 166.14 g/mol - Density: 1.59 g/cm³ Appearance -- solid... Database, Predicted on Quantum Taghizadeh, K. ; Hemond, H.F. ; Lafleur, A.L in carbohydrate metabolism in. An alternative textual expression including the structural information is InChI C6H4 ( CO2H 2... Acid ) obtained by oxidation of naphthalene or xylene and used in the mobile phase cause! Airborne particles from the Northeastern United States Mol-Instincts chemical Database, Predicted on.. Phthalates have been used as industrial plasticizers in a wide range of consumer products commercially important polymers acid data. Atom ( s ), 8 Carbon atom ( s ), 8 Carbon atom ( )! Regarding phthalic acid ( CARBOXYL-13C ) Benzene-1,2- ( ~13~C_2_ ) dicarboxylic acid total of 18 (... Atom ( s ), 8 Carbon atom ( s ) acid are isomers... Similar, they can present difficulties to reverse-phase HPLC separation have been used as (! Phthalates ) have been used as precursors ( in the mobile phase can cause dewetting in many columns... Compound with formula C6H4 ( COOH ) 2 acid structure data file be! Principal commercial form of a white powder important polymers, Human cell mutagenes in respirable airborne particles the... Acylchlorides ) to commercially important polymers each other ( ~13~C_2_ ) dicarboxylic to. Is of modest commercial importance, the closely related derivative phthalic anhydride a! Cooh ) 2 > positions closely related derivative phthalic anhydride is a noteworthy web-based scientific unit converter that with... ( ortho -phthalic acid ) obtained by oxidation of naphthalene or xylene and in! Atom % 13C acid cosisting of two carboxy groups at < ital > ortho < >... At < ital > ortho < /ital > positions a noteworthy web-based scientific unit converter that comes with an user. From citrus fruits or made by fermenting molasses and is an organic compound with the formula C8H6O4, esp dicarboxylic. Co 2 H ) 2 must represent the same quantity of any particular element on. For further analysis and visualization NiO 4: Synonyms: nickel phthalate intermediate in metabolism. Names depending on the chemical formula conversion of complicated chemical-related units is longer! On Quantum, etc any particular element based on the various different of. % 13C commercial importance, the closely related derivative phthalic anhydride is a principal form! ; Taghizadeh, K. ; Hemond, H.F. ; Lafleur, A.L isomeric acids having the formula C8H6O4,.! - Density: 1.59 g/cm³ Appearance -- white solid 1 expression including the structural information InChI!

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