diisobutyl phthalate (CHEBI:79053)

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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.

Supplier Information	ZINC000008214733

Download	Molfile XML SDF

Wikipedia	License
Adenosine triphosphate (ATP) is a nucleoside triphosphate that provides energy to drive and support many processes in living cells, such as muscle contraction, nerve impulse propagation, and chemical synthesis. Found in all known forms of life, it is often referred to as the "molecular unit of currency" for intracellular energy transfer. When consumed in a metabolic process, ATP converts either to adenosine diphosphate (ADP) or to adenosine monophosphate (AMP). Other processes regenerate ATP. It is also a precursor to DNA and RNA, and is used as a coenzyme. An average adult human processes around 50 kilograms (about 100 moles) daily. From the perspective of biochemistry, ATP is classified as a nucleoside triphosphate, which indicates that it consists of three components: a nitrogenous base (adenine), the sugar ribose, and the triphosphate.
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Formula

C16H22O4

Net Charge

Average Mass

278.34350

Monoisotopic Mass

278.15181

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 )

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

Citations

Last Modified

23 October 2015