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Substrate Report for: Terephthalic-acid

product of hydrolysis of Polyethylene-terephthalate. Polyethylene terephthalate is the most common thermoplastic polymer resin of the polyester family and is used in fibers for clothing, containers for liquids and foods. Terephthalate(2-) is the dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. Degradation of PET using hydrolytic enzymes leads to the release of hydrolysis products such as BHET (bis(2-hydroxyethyl) terephthalate), MHET (mono-(2-hydroxyethyl) terephthalic acid), TPA (terephthalic acid) and EG (ethylene glycol)


General
Type Terephthalate, Phthalate
Chemical_Nomenclature terephthalic acid
Canonical SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N
Other name(s) TPA ; Terephthalate ; P-Phthalic acid ; 1,4-Benzenedicarboxylic acid ; Benzene-1,4-dicarboxylic acid ; P-Dicarboxybenzene ; 1,4-Benzenedicarboxylate ; 1,4-Benzenedicarboxylic acid, ion(2-)
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MW|166.13
Formula|C8H6O4
CAS_number|100-21-0
PubChem|7489
UniChem|KKEYFWRCBNTPAC-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

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