CHEBI:79053 - diisobutyl phthalate

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ChEBI Name diisobutyl phthalate
ChEBI ID CHEBI:79053
Definition A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H22O4
Net Charge 0
Average Mass 278.34350
Monoisotopic Mass 278.152
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
SMILES CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
Roles Classification
Biological Role(s): 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.
Application(s): 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
(via phthalate ester )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester ChemIDplus
1,2-benzenedicarboxylic acid di(2-methylpropyl) ester NIST Chemistry WebBook
1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester NIST Chemistry WebBook
bis(2-methylpropyl) phthalate NIST Chemistry WebBook
di(i-butyl)phthalate ChemIDplus
di-2-methylpropyl phthalate NIST Chemistry WebBook
di-iso-butyl phthalate ChemIDplus
DIBP KEGG COMPOUND
DIBP ChemIDplus
isobutyl phthalate ChemIDplus
isobutyl-o-phthalate NIST Chemistry WebBook
phthalic acid, diisobutyl ester ChemIDplus
Manual Xrefs Databases
C15205 KEGG COMPOUND
Diisobutyl_phthalate Wikipedia
HMDB0013835 HMDB
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Registry Numbers Types Sources
84-69-5 CAS Registry Number NIST Chemistry WebBook
84-69-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16458459 PubMed citation Europe PMC
16516415 PubMed citation Europe PMC
17454364 PubMed citation Europe PMC
18602967 PubMed citation Europe PMC
18706996 PubMed citation Europe PMC
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Last Modified
23 October 2015