Compound: DIISONONYL PHTHALATE
SMILES: O=C(OCCCCCCC(C)C)c1c(C(=O)OCCCCCCC(C)C)cccc1
InChIKey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
Synonyms: DIISONONYL PHTHALATE, 28553-12-0, Diisononylphthalate, DINP, bis(7-methyloctyl) benzene-1,2-dicarboxylate, Enj 2065, Sansocizer DINP, Vestinol NN, Jayflex DINP, Vestinol 9, Phthalisocizer DINP, Baylectrol 4200, di-isononyl phthalate, Witamol 150, Phthalic acid, diisononyl ester, Di-''isononyl'' phthalate, 1,2-Benzenedicarboxylic acid, diisononyl ester, DIACIZER DINP, MONOCIZER DINP, PALATINOL DINP, PLASTOMOLL DINP, VINYCIZER 90, Isononyl alcohol, phthalate (2:1), 4010KIX4CK, CHEBI:35459, 1,2-Benzenedicarboxylic acid 1,2-diisononyl ester, di-isononylphthalate, RefChem:920274, DTXSID4022521, DTXCID001323279, ENJ-2065, 1,2-bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate, 249-079-5, DINP2, DINP3, Jay-dinp, Palatinol DN, Palatinol N, Vinylcizer 90, 20548-62-3, 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester, Bis(7-methyloctyl) phthalate, MFCD00044119, Phthalic acid, bis-7-methyloctyl ester, DSSTox_CID_2521, DSSTox_RID_78653, DSSTox_GSID_28665, Baylectrol 4200;ENJ 2065;Phthalisocizer DINP;, Phthalic acid, bis-isononyl ester, CAS-68515-48-0, 1,2-Benzenedicarboxylic acid, bis(7-methyloctyl) ester (9CI); Phthalic acid, bis(7-methyloctyl) ester (7CI,8CI); 1-Octanol, 7-methyl-, phthalate (2:1) (8CI); Bis(7-methyloctyl) phthalate; Diisononyl phthalate; DINP, Diisononyl phthalate/DINP, DINP [MI], Bis(7-methyloctyl)phthalate, DSSTox_RID_76608, DSSTox_GSID_22521, SCHEMBL21592, 1,2-bis(7-methyloctyl) benzene-1,2-dicarboxylate, BIDD:ER0440, Diisononyl Phthalate, Technical, orb1986117, orb3025654, 1,2-Benzenedicarboxylic acid, bis(7-methyloctyl) ester, Bis(7-methyloctyl) phthalate #, CHEMBL1905899, SCHEMBL29350714, DTXSID60860420, MSK1158, DIISONONYL PHTHALATE [HSDB], Tox21_200745, Tox21_202296, Tox21_303462, AKOS015838981, NCGC00163810-01, NCGC00163810-02, NCGC00257365-01, NCGC00258299-01, NCGC00259845-01, Phthalic acid, bis(7-methyloctyl) ester, AS-77000, MSK1158-1000, 1,2-benzendicarboxylic acid diisononylester, CAS-28553-12-0, HY-116439, NS00010511, PHTHALIC ACID,BIS(7-METHYLOCTYL)ESTER, D78402, Bis(7-methyloctyl)??phthalate, analytical standard, F837426, Q410393, Diisononyl phthalate Solution in Hexane, 1000?g/mL
Theoretical properties:
molecular_formula: C26H42O4
molecular_weight: 418.6 g/mol
exact_mass: 418.30830982 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 18
heavy_atom_count: 30
topological_polar_surface_area: 52.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
boiling_point: 172 °F at 760 mmHg (USCG, 1999)
melting_point: -48 °C
density: 0.972 g/cu cm at 20 °C/20 °C
solubility: Insoluble (<1 mg/ml at 70 °F) (NTP, 1992)
flash_point: greater than 200 °F (NTP, 1992)
vapor_pressure: 0.00000054 [mmHg]
Descriptions:
pubchem: Diisononyl Phthalate (DINP) can cause cancer according to an independent committee of scientific and health experts.
chebi: The diisononyl ester of benzene-1,2-dicarboxylic acid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diisononyl phthalate (DINP) is a phthalate used as a plasticizer. DINP is typically a mixture of chemical compounds consisting of various isononyl esters of phthalic acid۔