EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:34698 - diethyl phthalate
| Formula | C12H14O4 |
| Net Charge | 0 |
| Average Mass | 222.240 |
| Monoisotopic Mass | 222.08921 |
| SMILES | CCOC(=O)c1ccccc1C(=O)OCC |
| InChI | InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | teratogenic agent A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. neurotoxin A poison that interferes with the functions of the nervous system. |
| Applications: | plasticiser Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers. endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| diethyl phthalate (CHEBI:34698) has role neurotoxin (CHEBI:50910) |
| diethyl phthalate (CHEBI:34698) has role plasticiser (CHEBI:79056) |
| diethyl phthalate (CHEBI:34698) has role teratogenic agent (CHEBI:50905) |
| diethyl phthalate (CHEBI:34698) is a diester (CHEBI:51307) |
| diethyl phthalate (CHEBI:34698) is a ethyl ester (CHEBI:23990) |
| diethyl phthalate (CHEBI:34698) is a phthalate ester (CHEBI:35484) |
| IUPAC Name |
|---|
| diethyl benzene-1,2-dicarboxylate |
| Synonyms | Source |
|---|---|
| Diethyl phthalate | KEGG COMPOUND |
| Diethyl 1,2-benzenedicarboxylate | KEGG COMPOUND |
| 1,2-Benzenedicarboxylic acid diethyl ester | ChemIDplus |
| diethyl benzene-1,2-dicarboxylate | ChEBI |
| Phthalic acid diethyl ester | ChemIDplus |
| Phthalsäurediäthylester | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C14175 | KEGG COMPOUND |
| D03804 | KEGG DRUG |
| Diethyl_phthalate | Wikipedia |
| Citations |
|---|