Compound: DIISOBUTYL PHTHALATE
SMILES: O=C(OCC(C)C)c1c(C(=O)OCC(C)C)cccc1
InChIKey: MGWAVDBGNNKXQV-UHFFFAOYSA-N
Synonyms: DIISOBUTYL PHTHALATE, 84-69-5, DIBP, Isobutyl phthalate, Palatinol IC, Hexaplas M/1B, Phthalic acid, diisobutyl ester, Kodaflex DIBP, Di-iso-butyl phthalate, Di(i-butyl)phthalate, Hatcol DIBP, 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester, Diisobutylester kyseliny ftalove, DTXSID9022522, 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester, isobutyl-o-phthalate, di-isobutyl phthalate, bis(2-methylpropyl) phthalate, di-2-methylpropyl phthalate, AI3-04278 (USDA), IZ67FTN290, NSC-15316, DTXCID602522, CHEBI:79053, 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate, RefChem:587819, DI(ISOBUTYL) 1,2-BENZENEDICARBOXYLATE, 201-553-2, Phthalic Acid Diisobutyl Ester, NSC 15316, bis(2-methylpropyl) benzene-1,2-dicarboxylate, MFCD00026480, di-l-butyl phthalate (DIBP), 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester, 1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester, Phthalic acid, bis-isobutyl ester, CAS-84-69-5, SMR000112470, CCRIS 6193, HSDB 5247, EINECS 201-553-2, BRN 2054802, UNII-IZ67FTN290, Diisobutylester kyseliny ftalove [Czech], AI3-04278, diisobutyl benzene-1,2-dicarboxylate, isobutyl O-phthalate, Di-Iso- Butyl Phthalate, Isobutyl phthalate (VAN), EC 201-553-2, Diisobutyl phthalate, 99%, SCHEMBL42787, 4-09-00-03177 (Beilstein Handbook Reference), MLS000516002, MLS002152902, BIDD:ER0640, 1, bis(2-methylpropyl) ester, SCHEMBL6953673, SCHEMBL6954134, CHEMBL1370662, SCHEMBL29387332, HMS2269D07, Phthalic acid, bis-iso-butyl ester, NSC15316, Tox21_202429, Tox21_300612, AKOS015837516, Diisobutyl phthalate (ACD/Name 4.0), MSK1119-1000H, WLN: 1Y1&1OVR BVO1Y1&1, NCGC00091360-01, NCGC00091360-02, NCGC00091360-03, NCGC00091360-04, NCGC00254487-01, NCGC00259978-01, NS00010605, P0298, ST50405544, G77491, Q162259, Diisobutyl phthalate Solution in Hexane, 1000ug/mL, 1,2-benzenedicarboxylic acid di(2-methylpropyl) ester, 2-methylpropyl 2-[(2-methylpropyl)oxycarbonyl]benzoate, Phthalic acid, bis-isobutyl ester 10 microg/mL in Cyclohexane, Diisobutyl phthalate, certified reference material, TraceCERT(R)
Theoretical properties:
molecular_formula: C16H22O4
molecular_weight: 278.34 g/mol
exact_mass: 278.15180918 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 20
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
boiling_point: 563 to 568 °F at 760 mmHg (NTP, 1992)
melting_point: -83 °F (NTP, 1992)
density: 1.047 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Insoluble (NTP, 1992)
flash_point: 385 °F (NTP, 1992)
vapor_pressure: 0.00665 [mmHg]
Descriptions:
pubchem: Diisobutyl phthalate is a phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol. It has a role as a teratogenic agent, a PPAR modulator and a plasticiser. It is a phthalate ester and a diester. It is functionally related to an isobutanol.
chebi: A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diisobutyl phthalate (DIBP) is a phthalate ester having the structural formula C6H4(COOCH2CH(CH3)2)2. It is formed by the esterification of isobutanol and phthalic anhydride. This and other phthalates are used as plasticizers due to their flexibility and durability. They are found in many industrial and personal products, such as lacquers, nail polish and cosmetics. DIBP can be absorbed via oral ingestion and dermal exposure. When it comes to excretion, DIBP is first converted into the hydrolytic monoester monoisobutyl phthalate (MIBP). The primary excretory route is urine, with biliary excretion being noted in minor amounts. DIBP has lower density and freezing point than the related compound dibutyl phthalate (DBP).