terephthalic acid

GPTKB entity

Statements (37)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
aromatic dicarboxylic acid
gptkbp:appearance white crystalline solid
gptkbp:aroma odorless
gptkbp:boilingPoint decomposes before boiling
gptkbp:CASNumber 100-21-0
gptkbp:category industrial chemicals
benzenedicarboxylic acids
gptkbp:chemicalFormula C8H6O4
gptkbp:density 1.522 g/cm³
gptkbp:EC_number 202-830-0
gptkbp:hasInChIKey InChI=1S/C8H6O4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
gptkbp:hasSMILES C1=CC(=CC=C1C(=O)O)C(=O)O
https://www.w3.org/2000/01/rdf-schema#label terephthalic acid
gptkbp:IUPACName benzene-1,4-dicarboxylic acid
gptkbp:meltingPoint 300 °C (decomposes)
gptkbp:molecularWeight 166.13 g/mol
gptkbp:predecessor gptkb:polyethylene_terephthalate
gptkb:plastic
gptkbp:primaryUse production of plastic bottles
production of polyester fibers
production of polyethylene terephthalate (PET)
gptkbp:productionMethod oxidation of p-xylene
gptkbp:PubChem_CID 7489
CHEBI:30743
CHEMBL1376
gptkbp:relatedTo isophthalic acid
phthalic acid
gptkbp:riskFactor may cause respiratory irritation
gptkbp:solubility slightly soluble
gptkbp:structure benzene ring with carboxylic acid groups at positions 1 and 4
gptkbp:synonym 1,4-benzenedicarboxylic acid
p-phthalic acid
para-phthalic acid
gptkbp:UNII U1J390A5Y6
gptkbp:bfsParent gptkb:polyethylene_terephthalate
gptkbp:bfsLayer 6