Substrate Report for: Terephthalic-acid
Terephthalic-acid | Type | Terephthalate |
| | Phthalate |
| Other_Name (8) |
| Chemical_Nomenclature | terephthalic acid |
| Formula | C8H6O4 |
| CAS_number | 100-21-0 |
| MW | 166.13 |
| |
| Comment | 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) |
| CID | 7489 |
| InChIKey | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| CanonicalSMILES | 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) |
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