1.0 2016-06-03 13:05:47 UTC 2026-08-19 21:01:07 UTC 2,4,6-triisopropyl-m-phenylene diisocyanate SmallMolecule 2,4,6-triisopropyl-m-phenylene diisocyanate is an organic compound with the chemical formula C17H22N2O2 and an average molecular weight of 286.38 g/mol. 2,4,6-triisopropyl-m-phenylene diisocyanate belongs to the cumenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 19 recorded sources. Within drinking water and water supply, it is found in tap water, bottled water, desalinated water, and drinking water. It is present in aquatic systems and sediments, including seawater, freshwater, surface water, and groundwater. In the sector of wastewater, sanitation, and biosolids, the compound is recorded in mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Additional sources include appliances, HVAC, and refrigerants, specifically water heaters and water coolers. In the marine, shipping, and aquaculture sector, it is found in bilge water and ballast water, while agriculture and land management sources include irrigation water. The compound is also associated with two other sectors. Recorded routes of exposure for this compound include touch, oral, and inhalation. PMT C17H22N2O2 286.375 286.168127956 2,4-diisocyanato-1,3,5-tris(propan-2-yl)benzene 2,4-diisocyanato-1,3,5-triisopropylbenzene 2162-73-4 CC(C)C1=CC(C(C)C)=C(N=C=O)C(C(C)C)=C1N=C=O InChI=1S/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3 AZAKSPACDDRBQB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Cumenes Cumenes Hydrocarbon derivatives Isocyanates Organic oxides Organooxygen compounds Organopnictogen compounds Phenylpropanes Propargyl-type 1,3-dipolar organic compounds Aromatic homomonocyclic compound Cumene Hydrocarbon derivative Isocyanate Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylpropane Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 6.9 logp 4.39 ALOGPS logs -4.31 ALOGPS solubility 1.42e-02 g/l ALOGPS logp 5.53 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2,4-diisocyanato-1,3,5-tris(propan-2-yl)benzene ChemAxon average_mass 286.375 ChemAxon mono_mass 286.168127956 ChemAxon smiles CC(C)C1=CC(C(C)C)=C(N=C=O)C(C(C)C)=C1N=C=O ChemAxon formula C17H22N2O2 ChemAxon inchi InChI=1S/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3 ChemAxon inchikey AZAKSPACDDRBQB-UHFFFAOYSA-N ChemAxon polar_surface_area 58.86 ChemAxon refractivity 86.77 ChemAxon polarizability 31.9 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f91c308> 75099 67650