Phthalic acid
PubChem CID: 1017
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| Compound Synonyms | phthalic acid, 88-99-3, 1,2-benzenedicarboxylic acid, o-phthalic acid, benzene-1,2-dicarboxylic acid, Pathalic acid, o-dicarboxybenzene, o-benzenedicarboxylic acid, Acide phtalique, Kyselina ftalova, ortho-phthalic acid, Sunftal 20, MFCD00002467, CCRIS 1446, HSDB 1339, Orthophthalic acid, NSC 5348, EINECS 201-873-2, UNII-6O7F7IX66E, BRN 0608199, PhthalicAcid-13C2, 6O7F7IX66E, o-Carboxybenzoic acid, DTXSID8021484, CHEBI:29069, AI3-02409, NSC-5348, CHEMBL1045, DTXCID901484, EC 201-873-2, 4-09-00-03167 (Beilstein Handbook Reference), Phthalic-13C Acid, PHTHALICACID, 254110-94-6, Copper(ii)phthalate, Phthalic Acid-13C2, Benzene-1,2-dicarboxylic Acid (Phthalic Acid), PHTHALIC ACID (USP-RS), PHTHALIC ACID [USP-RS], Acide phtalique [French], Kyselina ftalova [Czech], Phthalic Acid (Phenyl-13C6, D4), PHTHALIC ACID (USP IMPURITY), PHTHALIC ACID [USP IMPURITY], FLUORESCEIN IMPURITY B (EP IMPURITY), FLUORESCEIN IMPURITY B [EP IMPURITY], FLUORESCEIN SODIUM IMPURITY B (EP IMPURITY), FLUORESCEIN SODIUM IMPURITY B [EP IMPURITY], Alizarinate, Naphthalinate, Phthalinate, Alizarinic acid, Phthalinic acid, Naphthalinic acid, o-Carboxybenzoate, 4kww, folpet TP2, phthalsäure, Benzene-1,2-dicarboxylic Acid, Phthalic acid, Fluorescein Sodium Imp. B (EP), Fluorescein Imp. B (EP), Fluorescein Sodium Impurity B, Fluorescein Impurity B, o-Benzenedicarboxylate, Phthalic acid, ~99%, WLN: QVR BVQ, Phthalic acid (Standard), Phthalate standard for IC, Phthalic acid, 99.5%, benzoic acid, 2-carboxy-, bmse000391, PHTHALIC ACID [MI], Picoxystrobin metabolite 15, SCHEMBL1808, 1,2-benzendicarboxylic acid, PHTHALIC ACID [HSDB], MLS002152931, HY-I0508R, NSC5348, HMS3039E17, HMS3604J03, Phthalic acid, analytical standard, BCP15370, EKA11094, HY-I0508, STR06656, VCA83883, Phthalic acid, reagent grade, 98%, Tox21_200915, BDBM50080272, MSK000852, s6215, STL168879, AKOS000118898, DB02746, FP27023, CAS-88-99-3, NCGC00090869-01, NCGC00090869-02, NCGC00258469-01, Phthalic acid, ACS reagent, >=99.5%, AC-14464, BP-21159, DA-48993, DA-76837, SMR001224528, 1ST000852, CS-0009407, NS00008610, P0287, Phthalic acid, SAJ first grade, >=99.0%, 1,2-Benzenedicarboxylic acid, M 2, NSC 5348, EN300-17992, Phthalic acid, SAJ special grade, >=99.0%, C01606, Phthalic acid, Vetec(TM) reagent grade, 98%, Phthalic acid, puriss. p.a., >=99.5% (T), AB-131/40237186, Q423876, Z57127456, F3110-2832, Phthalic acid, European Pharmacopoeia (EP) Reference Standard, Phthalic acid, United States Pharmacopeia (USP) Reference Standard, 201-873-2, InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | XNGIFLGASWRNHJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Substituent Name | Benzoic acid, Benzyl alcohol, Benzoyl, Dicarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Synonyms | 1,2-Benzenedicarboxylate, 1,2-Benzenedicarboxylic acid, Alizarinate, Alizarinic acid, M 2, Naphthalinate, Naphthalinic acid, Naphthalinic acid?, O-Benzenedicarboxylate, O-Benzenedicarboxylic acid, O-Carboxybenzoate, O-Carboxybenzoic acid, O-Dicarboxybenzene, ortho-Phthalate, ortho-Phthalic acid, Phthalate, Phthalic acid, 8CI, Phthalinate, Phthalinic acid, Sunftal 20, Ortho-phthalic acid, O-Phthalic acid, Ortho-phthalate, O-Phthalate, Phthalic acid, dipotassium salt, Phthalic acid, disodium salt, Phthalic acid, monobarium salt, Phthalic acid, monopotassium salt, Phthalic acid, sodium salt, Potassium hydrogen phthalate, Phthalic acid, copper salt, Phthalic acid, monocalcium salt, Phthalic acid, monoruthenium salt, Phthalic acid, potassium salt, Phthalic acid, potassium, sodium salt, Phthalic acid, monoiron (2+) salt, Phthalic acid, monolead (2+) salt, Phthalic acid, monosodium salt, Phthalic acid, Disodium phthalate |
| Heavy Atom Count | 12.0 |
| Compound Name | Phthalic acid |
| Kingdom | Organic compounds |
| Description | Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(COOH)2. Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many other useful products. Phthalic acid, when found in tissues or biofluids arises from exposure to these phthalate products. Phthalate is an environmental chemical of heightened public concern because reports of its potential risk to male reproductive health (PMID 16804814), being significantly associated with reduced sperm concentration to pesticide concentration in men's urine (PMID 16804812). Within the reproductive tract, the male is exquisitely vulnerable to the effects of anti-androgens during development due the reliance on the synthesis and action of androgens for the masculinization of the male reproductive tract. The ability of phthalates to suppress androgen synthesis during development and to induce testicular dysgenesis together with cryptorchidism and hypospadias has raised considerable concern. (PMID 15016950) [HMDB]. |
| Exact Mass | 166.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.027 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 166.13 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phthalic acid |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzene and substituted derivatives |
| 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) |
| Smiles | C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| Xlogp | 0.7 |
| Superclass | Benzenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Benzoic acids and derivatives |
| Taxonomy Direct Parent | Benzoic acids |
| Molecular Formula | C8H6O4 |
- 1. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:fooddb_chem_all