CHEBI:4609 - Dimethyl phthalate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dimethyl phthalate
ChEBI ID CHEBI:4609
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H10O4
Net Charge 0
Average Mass 194.184
Monoisotopic Mass 194.058
InChI InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChIKey NIQCNGHVCWTJSM-UHFFFAOYSA-N
SMILES COC(=O)c1ccccc1C(=O)OC
Roles Classification
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Dimethyl phthalate KEGG COMPOUND
dimethyl phthalate DrugCentral
Manual Xrefs Databases
2989 VSDB
2989 PPDB
4771 DrugCentral
C11233 KEGG COMPOUND
View more database links
Registry Number Type Source
131-11-3 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017