1.0 2026-04-03 08:44:43 UTC 2026-08-25 01:35:12 UTC Benzene, 1-isocyanato-3-methyl- SmallMolecule Benzene, 1-isocyanato-3-methyl- (C8H7N1O1) is an organic compound with an average molecular weight of 133.15 g/mol. Benzene, 1-isocyanato-3-methyl- belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from 20 recorded sources across several sectors. Within drinking water and water supply, it has been identified in bottled water, tap water, desalinated water, and drinking water. In aquatic systems and sediments, it is present in freshwater, seawater, groundwater, and surface water. It is also found in wastewater, sanitation, and biosolids, including unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, as well as marine, shipping, and aquaculture sources such as bilge water and ballast water. It has also been recorded in irrigation water under agriculture and land management, along with three more sectors. Recorded exposure routes for this compound include touch, oral, and inhalation. PMT 1-isocyanato-3-methyl-benzene 1-Isocyanato-3-methylbenzene 1-Isocyanato-3-methylbenzol 3-methylbenzenisocyanate 3-Methylphenyl isocyanate 3-Methylphenylisocyanate 3-toluene monoisocyanate 3-TOLYL ISOCYATE 386149 Benzene, 1-isocyanato-3-methyl- Isocyanates, toxic, n.o.s. (1-isocyanato-3-methylbenzene) ISOCYANIC ACID M-TOLYL ESTER Isocyanic acid, m-tolyl ester m-Isocyanatotoluene m-Methyl Phenyl Isocyanate m-Methylphenyl isocyanate M-toluene Isocyanate m-Tolyl Isocyanate m-tolylisocyanate M-TOYL ISOCYATE Meta-Tolyl Isocyanate Meta-TolylIsocyanate QA-3798 TL8004041 [621-29-4] C8H7N1O1 133.15 133.052764 621-29-4 CC1=CC(=CC=C1)N=C=O InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 CPPGZWWUPFWALU-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Toluenes Hydrocarbon derivatives Isocyanates Organic oxides Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aromatic homomonocyclic compound Hydrocarbon derivative Isocyanate Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.5 average_mass 133.15 ChemAxon mono_mass 133.052764 ChemAxon smiles CC1=CC(=CC=C1)N=C=O ChemAxon formula C8H7N1O1 ChemAxon inchi InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 ChemAxon inchikey CPPGZWWUPFWALU-UHFFFAOYSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267bcda28> 69303 62514