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CHEBI:4609 - Dimethyl phthalate

ChEBI IDCHEBI:4609
ChEBI NameDimethyl phthalate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCOC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKeyNIQCNGHVCWTJSM-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Dimethyl phthalate (CHEBI:4609) is a diester (CHEBI:51307)
Dimethyl phthalate (CHEBI:4609) is a methyl ester (CHEBI:25248)
Dimethyl phthalate (CHEBI:4609) is a phthalate ester (CHEBI:35484)
Synonyms  Source
Dimethyl phthalateKEGG COMPOUND
dimethyl phthalateDrugCentral
Manual XrefsDatabases
C11233KEGG COMPOUND
4771DrugCentral
2989PPDB
2989VSDB
Registry NumbersSources
CAS:131-11-3KEGG COMPOUND