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CHEBI:79053 - diisobutyl phthalate
| Formula | C16H22O4 |
| Net Charge | 0 |
| Average Mass | 278.348 |
| Monoisotopic Mass | 278.15181 |
| SMILES | CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C |
| InChI | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| 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. PPAR modulator Any compound which acts on the peroxisome proliferator-activated receptor. |
| 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) |
| diisobutyl phthalate (CHEBI:79053) has functional parent isobutanol (CHEBI:46645) |
| diisobutyl phthalate (CHEBI:79053) has role plasticiser (CHEBI:79056) |
| diisobutyl phthalate (CHEBI:79053) has role PPAR modulator (CHEBI:70781) |
| diisobutyl phthalate (CHEBI:79053) has role teratogenic agent (CHEBI:50905) |
| diisobutyl phthalate (CHEBI:79053) is a diester (CHEBI:51307) |
| diisobutyl phthalate (CHEBI:79053) is a phthalate ester (CHEBI:35484) |
| IUPAC Name |
|---|
| diisobutyl phthalate |
| Synonyms | Source |
|---|---|
| isobutyl phthalate | ChemIDplus |
| 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester | ChemIDplus |
| phthalic acid, diisobutyl ester | ChemIDplus |
| di-iso-butyl phthalate | ChemIDplus |
| DIBP | ChemIDplus |
| di(i-butyl)phthalate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Diisobutyl_phthalate | Wikipedia |
| C15205 | KEGG COMPOUND |
| HMDB0013835 | HMDB |
| Citations |
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