1.0 2016-06-03 10:06:21 UTC 2026-08-22 07:35:07 UTC Tris(4-isopropylphenyl) phosphate SmallMolecule Tris(4-isopropylphenyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This compound has the chemical formula C27H33O4P and an average molecular weight of 452.53 g/mol. In industrial applications, it is used in plastics, specifically within polyvinyl chloride, polystyrene, and polyurethane. The compound has been identified in or released from 20 recorded sources across various sectors. In aquatic systems and sediments, it is found in freshwater, seawater, groundwater, and surface water. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. Within the wastewater, sanitation, and biosolids sector, it is recorded in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Other sources include marine, shipping, and aquaculture environments, such as bilge water and ballast water, as well as irrigation water used in agriculture and land management. Additionally, it is found in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers, along with three other sectors. Recorded routes of human exposure include touch, oral, and inhalation. PMT C27H33O4P 452.531 452.211646541 tris[4-(propan-2-yl)phenyl] phosphate tris(4-isopropylphenyl) phosphate 2502-15-0 CC(C)C1=CC=C(OP(=O)(OC2=CC=C(C=C2)C(C)C)OC2=CC=C(C=C2)C(C)C)C=C1 InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3 ANVREEJNGJMLOV-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Aryl phosphotriesters Cumenes Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxy compounds Phenylpropanes Aromatic homomonocyclic compound Aryl phosphotriester Benzenoid Cumene Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Phenylpropane Aromatic homomonocyclic compounds Detected and Not Quantified logp 7.4 logp 6.49 ALOGPS logs -6.39 ALOGPS solubility 1.86e-04 g/l ALOGPS logp 8.82 ChemAxon pka_strongest_basic -9.4 ChemAxon iupac tris[4-(propan-2-yl)phenyl] phosphate ChemAxon average_mass 452.531 ChemAxon mono_mass 452.211646541 ChemAxon smiles CC(C)C1=CC=C(OP(=O)(OC2=CC=C(C=C2)C(C)C)OC2=CC=C(C=C2)C(C)C)C=C1 ChemAxon formula C27H33O4P ChemAxon inchi InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3 ChemAxon inchikey ANVREEJNGJMLOV-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 130 ChemAxon polarizability 49.95 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb002d2b0> 75628 68150