<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3712</id>
  <title>T3D3659</title>
  <common-name>Polyethylene terephthalate</common-name>
  <description>Polyethylene terephthalate (PET or PETE), is a thermoplastic polymer resin of the polyester family and is used in synthetic fibers; beverage, food and other liquid containers; thermoforming applications; and engineering resins often in combination with glass fiber. The majority of the world's PET production is for synthetic fibers (in excess of 60%) with bottle production accounting for around 30% of global demand. Some of the trade names of PET products are Dacron, Diolen, Tergal, Terylene, and Trevira fibers, Cleartuf, Eastman PET and Polyclear bottle resins, Hostaphan, Melinex, and Mylar films, and Arnite, Ertalyte, Impet, Rynite and Valox injection molding resins. PET consists of polymerized units of the monomer ethylene terephthalate, with repeating C10H8O4 units. PET is commonly recycled, and has the number "1" as its recycling symbol. (L1907)</description>
  <cas>25038-59-9</cas>
  <pubchem-id>16212789</pubchem-id>
  <chemical-formula>C10H12O6</chemical-formula>
  <weight></weight>
  <appearance>Transparent to white crystals.</appearance>
  <melting-point>260°C</melting-point>
  <boiling-point></boiling-point>
  <density>1.370 g/cm3 (amorphous) to 1.455 g/cm3 (crystalline)</density>
  <solubility></solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Inhalation (L741) ; oral (L741) ; dermal (L741)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Antimony is a catalyst that is often used as antimony trioxide or antimony triacetate in the production of PET. It remains in the material and can thus in principle migrate out into food and drinks, though the concentration is usually quite low. The inhalation data suggest that the myocardium is a target of antimony toxicity. It is possible that antimony affects circulating glucose by interfering with enzymes of the glycogenolysis and gluconeogenesis pathways. The mechanism of action of antimony remains unclear. However, some studies suggest that antimony combines with sulfhydryl groups including those in several enzymes important for tissue respiration. The antidotal action of BAL depends on its ability to prevent or break the union between antimony and vital enzymes. Moreover, the The cause of death is believed to be essentially the same as that in acute arsenic poisoning. Antimony trioxide poisoning can lead to increased serum alanine aminotransferase and aspartate aminotransferase activities. The mechanism of action of antimony trioxide remains unclear (T18, L741, A238, L1907)</mechanism-of-toxicity>
  <metabolism>Antimony is widely distributed throughout the body. The hair and skin contain the highest levels of antimony. The adrenal glands, lung, large intestine, trachea, cerebellum, and kidneys also contain relatively high levels of antimony. Blood is the main vehicle for the transport of absorbed antimony to various tissue compartments of the body. Antimony is a metal and, therefore, does not undergo catabolism. Antimony can covalently interact with sulfhydryl groups and phosphate, as well as numerous reversible binding interactions with endogenous ligands (e.g., proteins). It is not known if these interactions are toxicologically significant. Antimony is excreted via the urine and feces. Some of the fecal antimony may represent unabsorbed antimony that is cleared from the lung via mucociliary action into the esophagus to the gastrointestinal tract. (L741)</metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>Subcutaneous administration of polyethylene terephthalate is not classifiable as to its carcinogenicity to humans (Group 3). (L135)</carcinogenicity>
  <use-source>Polyethylene terephthalate is used in synthetic fibers; beverage, food and other liquid containers; thermoforming applications; and engineering resins often in combination with glass fiber. (L1907)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Antimony is a catalyst that is often used as antimony trioxide or antimony triacetate in the production of PET. It remains in the material and can thus in principle migrate out into food and drinks, though the concentration is usually quite low. Dermal exposure to antimony can cause antimony spots (papules and pustules around sweat and sebaceous glands). Antimony poisoning can also lead to pneumoconiosis. Alterations in pulmonary function and other effects including chronic bronchitis, chronic emphysema, inactive tuberculosis, pleural adhesions, and irritation can result from inhalation of antimony. Increased blood pressure can also result from antimony poisoning. Myocardial depression, vasodilation and fluid loss may cause shock with hypotension, electrolyte disturbances and acute renal failure. Cerebral oedema, coma, convulsions, and death are possible. (L741, L1907) </health-effects>
  <symptoms>Antimony is a catalyst that is often used as antimony trioxide or antimony triacetate in the production of PET. It remains in the material and can thus in principle migrate out into food and drinks. Abdominal pain, vomiting, diarrhea can result from inhalation of antimony. Dyspnea, headache, vomiting,cough, conjunctivitis, and bloody purulent discharge from nose can result from inhalation exposure. Skin or eye contact can cause pain and redness of the exposed surface. (T64, L741, L1907)</symptoms>
  <treatment>Following oral exposure to antimony, administer charcoal as a slurry (240 mL water/30 g charcoal). Following inhalation exposure, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. (T36)</treatment>
  <created-at type="dateTime">2009-12-04T04:08:49Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:18Z</updated-at>
  <interacting-proteins></interacting-proteins>
  <wikipedia>http://en.wikipedia.org/wiki/Polyethylene_terephthalate</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>53259</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OCCO.OC(=O)C1=CC=C(C=C1)C(O)=O</moldb-smiles>
  <moldb-formula>C10H12O6</moldb-formula>
  <moldb-inchi>InChI=1S/C8H6O4.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2</moldb-inchi>
  <moldb-inchikey>InChIKey=FYIBGDKNYYMMAG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">228.1987</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.063388116</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>11184247</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
