1.0 2016-05-19 03:38:10 UTC 2026-04-17 19:55:50 UTC Neodecaneperoxoic acid, 1,1-dimethylethyl ester SmallMolecule Neodecaneperoxoic acid, 1,1-dimethylethyl ester belongs to the peroxycarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C14H28O3 and an average molecular weight of 244.38 g/mol. In industrial applications, it serves as a catalyst, a chemical reaction regulator, and a hardener. The substance has been identified in six recorded sources, including drinking water and water supply systems. It is also associated with food, food processing, and cookware, specifically in the processing of meats. Additionally, it is found in electrical and electronic equipment, such as antennas, coils, cores yokes or armatures, and emergency protective devices. The recorded route of exposure for this compound is oral. tert-butyl peroxyneodecanoate C14H28O3 244.375 244.203844762 tert-butyl 7,7-dimethyloctaneperoxoate tert-butyl 7,7-dimethyloctaneperoxoate 26748-41-4 CC(C)(C)CCCCCC(=O)OOC(C)(C)C InChI=1S/C14H28O3/c1-13(2,3)11-9-7-8-10-12(15)16-17-14(4,5)6/h7-11H2,1-6H3 NMOALOSNPWTWRH-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Peroxycarboxylic acids and derivatives Peroxycarboxylic acids and derivatives Carbonyl compounds Carboxylic acid salts Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Aliphatic acyclic compound Carbonyl group Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic salt Organooxygen compound Peroxycarboxylic acid or derivatives Aliphatic acyclic compounds Detected and Not Quantified logp 5.45 ALOGPS logs -4.80 ALOGPS solubility 3.90e-03 g/l ALOGPS logp 4.64 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac tert-butyl 7,7-dimethyloctaneperoxoate ChemAxon average_mass 244.375 ChemAxon mono_mass 244.203844762 ChemAxon smiles CC(C)(C)CCCCCC(=O)OOC(C)(C)C ChemAxon formula C14H28O3 ChemAxon inchi InChI=1S/C14H28O3/c1-13(2,3)11-9-7-8-10-12(15)16-17-14(4,5)6/h7-11H2,1-6H3 ChemAxon inchikey NMOALOSNPWTWRH-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 69.22 ChemAxon polarizability 29.69 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae657598> 117856 105316