1.0 2016-06-03 10:32:12 UTC 2026-08-24 15:40:33 UTC trans-2-isopropyl-5-carboxy-1,3-dioxane SmallMolecule trans-2-isopropyl-5-carboxy-1,3-dioxane (C8H14O4) is an organic compound with an average molecular weight of 174.20 g/mol. trans-2-isopropyl-5-carboxy-1,3-dioxane belongs to the 1,3-dioxanes, a subclass of dioxanes within the organic compounds. This substance is identified as being found in or released from indoor air, which is categorized under air, dust & atmospheric transport. The recorded route of exposure for this compound is inhalation. C8H14O4 174.196 174.089208931 2-(propan-2-yl)-1,3-dioxane-5-carboxylic acid 2-isopropyl-1,3-dioxane-5-carboxylic acid 42031-28-7 CC(C)C1OCC(CO1)C(O)=O InChI=1S/C8H14O4/c1-5(2)8-11-3-6(4-12-8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10) LAMFNZWIXHJCMW-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Dioxanes 1,3-dioxanes 1,3-dioxanes Acetals Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Acetal Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Meta-dioxane Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Aliphatic heteromonocyclic compounds Detected and Not Quantified logp 0.7 logp 0.36 ALOGPS logs -0.11 ALOGPS solubility 1.34e+02 g/l ALOGPS logp 1.03 ChemAxon pka_strongest_acidic 4.31 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-(propan-2-yl)-1,3-dioxane-5-carboxylic acid ChemAxon average_mass 174.196 ChemAxon mono_mass 174.089208931 ChemAxon smiles CC(C)C1OCC(CO1)C(O)=O ChemAxon formula C8H14O4 ChemAxon inchi InChI=1S/C8H14O4/c1-5(2)8-11-3-6(4-12-8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10) ChemAxon inchikey LAMFNZWIXHJCMW-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 41.46 ChemAxon polarizability 17.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7282418998> 19962532 14082899