1.0 2016-05-25 18:56:25 UTC 2026-08-19 07:14:15 UTC 1,3-Di-tert-butylbenzene SmallMolecule 1,3-Di-tert-butylbenzene belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H22 and an average molecular weight of 190.32 g/mol. The substance is utilized in plastics, specifically within high-density polyethylene and low-density polyethylene, and it is present in polypropylene. Its presence in ethylene vinyl alcohol and polystyrene remains inconclusive. 1,3-Di-tert-butylbenzene is found in or released from eight recorded sources. These include building and construction materials such as ceilings, as well as drinking water and water supply systems. Within the food, food processing, and cookware sectors, it is associated with food contact materials and the preparation of wine or sparkling wine. Additionally, it is linked to electrical and electronic equipment, including power cables, emergency protective devices, antennas, and cores yokes or armatures. Recorded exposure routes for this compound include oral, inhalation, and touch. 1,3-Bis(1,1-dimethylethyl)-benzene C14H22 190.3245 190.172150704 1,3-di-tert-butylbenzene 1,3-di-tert-butylbenzene 1014-60-4 CC(C)(C)C1=CC(=CC=C1)C(C)(C)C InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3 ILNDSSCEZZFNGE-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Phenylpropane Unsaturated hydrocarbon Aromatic homomonocyclic compounds Detected and Not Quantified logp 5.8 logp 5.58 ALOGPS logs -5.39 ALOGPS solubility 7.71e-04 g/l ALOGPS logp 5.06 ChemAxon iupac 1,3-di-tert-butylbenzene ChemAxon average_mass 190.3245 ChemAxon mono_mass 190.172150704 ChemAxon smiles CC(C)(C)C1=CC(=CC=C1)C(C)(C)C ChemAxon formula C14H22 ChemAxon inchi InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3 ChemAxon inchikey ILNDSSCEZZFNGE-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 63.39 ChemAxon polarizability 24.47 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225d847f0> 136810 120562