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