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CHEBI:180625 - Dibutyl terephthalate

ChEBI IDCHEBI:180625
ChEBI NameDibutyl terephthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCCCCOC(=O)c1ccc(C(=O)OCCCC)cc1
InChIInChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyLQLQDKBJAIILIQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Dibutyl terephthalate (CHEBI:180625) is a phthalate ester (CHEBI:35484)
IUPAC Name 
dibutyl benzene-1,4-dicarboxylate
Manual XrefsDatabases
15254ChemSpider
Registry NumbersSources
CAS:1962-75-0ChemIDplus