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CHEBI:34687 - dibutyl phthalate
| Formula | C16H22O4 |
| Net Charge | 0 |
| Average Mass | 278.348 |
| Monoisotopic Mass | 278.15181 |
| SMILES | CCCCOC(=O)c1ccccc1C(=O)OCCCC |
| InChI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. EC 3.2.1.20 (alpha-glucosidase) inhibitor An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20). 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. |
| 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 |
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| Outgoing Relation(s) |
| dibutyl phthalate (CHEBI:34687) has functional parent butan-1-ol (CHEBI:28885) |
| dibutyl phthalate (CHEBI:34687) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239) |
| dibutyl phthalate (CHEBI:34687) has role environmental contaminant (CHEBI:78298) |
| dibutyl phthalate (CHEBI:34687) has role metabolite (CHEBI:25212) |
| dibutyl phthalate (CHEBI:34687) has role plasticiser (CHEBI:79056) |
| dibutyl phthalate (CHEBI:34687) has role teratogenic agent (CHEBI:50905) |
| dibutyl phthalate (CHEBI:34687) is a diester (CHEBI:51307) |
| dibutyl phthalate (CHEBI:34687) is a phthalate ester (CHEBI:35484) |
| IUPAC Name |
|---|
| dibutyl benzene-1,2-dicarboxylate |
| Synonyms | Source |
|---|---|
| 1,2-Benzenedicarboxylic acid dibutyl ester | ChemIDplus |
| Benzenedicarboxylic acid dibutyl ester | NIST Chemistry WebBook |
| Benzene-o-dicarboxylic acid di-n-butyl ester | NIST Chemistry WebBook |
| Benzene-o-dicarboxylic acid di-n-butyl ester | ChemIDplus |
| Butyl phthalate | ChemIDplus |
| DBP | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 2924 | PPDB |
| 4414 | DrugCentral |
| C14214 | KEGG COMPOUND |
| Dibutyl_phthalate | Wikipedia |
| HMDB0033244 | HMDB |
| Citations |
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