1.0 2026-04-03 10:08:59 UTC 2026-08-25 15:40:16 UTC Hexane, 2,2,5-trimethyl- SmallMolecule Hexane, 2,2,5-trimethyl- is an organic compound with the formula C9H20 and an average molecular weight of 128.26 g/mol. Hexane, 2,2,5-trimethyl- belongs to the alkanes, a subclass of saturated hydrocarbons within the organic compounds. This substance is found in or released from three recorded sources: radio transmission systems in electrical and electronic equipment, and food contact materials used in the preparation of wort within food, food processing, and cookware. Recorded routes of exposure to the compound include oral, inhalation, and touch. 2,2,5-TRIMETHYLHEXANE 2,2,5-TRIMETHYLHEXANE 99+% 222-537-1 3522949 EINECS 222-537-1 Hexane, 2,2,5-trimethyl- https://mcule.com/MCULE-5919798576 InChI=1/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H MFCD00026525 UNII-AGW1Z6985E UNII:AGW1Z6985E [3522-94-9] C9H20 128.259 128.156501 2,2,5-trimethylhexane 2,2,5-trimethylhexane 3522-94-9 CC(C)CCC(C)(C)C InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3 HHOSMYBYIHNXNO-UHFFFAOYSA-N Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Branched alkanes Aliphatic acyclic compound Branched alkane Aliphatic acyclic compounds Detected and Not Quantified logp 4.4 logp 5.05 ALOGPS logs -4.60 ALOGPS solubility 3.25e-03 g/l ALOGPS logp 4.01 ChemAxon iupac 2,2,5-trimethylhexane ChemAxon average_mass 128.259 ChemAxon mono_mass 128.156501 ChemAxon smiles CC(C)CCC(C)(C)C ChemAxon formula C9H20 ChemAxon inchi InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3 ChemAxon inchikey HHOSMYBYIHNXNO-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 42.98 ChemAxon polarizability 17.71 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f725e5afd20> 19041 17976