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