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CHEBI:165208 - Mono-(2-ethylhexyl) terephthalate

Default Structure
ChEBI IDCHEBI:165208
ChEBI NameMono-(2-ethylhexyl) terephthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCCCCC(CC)COC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H22O4/c1-3-5-6-12(4-2)11-20-16(19)14-9-7-13(8-10-14)15(17)18/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
InChIKeyHRUJAEJKCNCOGW-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Mono-(2-ethylhexyl) terephthalate (CHEBI:165208) is a phthalate ester (CHEBI:35484)
IUPAC Name 
4-(2-ethylhexoxycarbonyl)benzoic acid
Manual XrefsDatabases
15062648ChemSpider
Registry NumbersSources
CAS:155603-50-2ChemIDplus