1.0 2010-04-08 22:08:44 UTC 2025-11-18 23:17:19 UTC FDB009658 Isovaleraldehyde glyceryl acetal It is used as a food additive . C8H16O3 160.213 160.109944375 [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol 54355-74-7 CC(C)CC1OCC(CO)O1 InChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3 VLJPLCWWQHTPAZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3. 1,3-dioxolanes Organic compounds Organoheterocyclic compounds Dioxolanes 1,3-dioxolanes Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxolane Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol logp 0.58 ALOGPS logs -0.35 ALOGPS solubility 7.14e+01 g/l ALOGPS logp 0.98 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol ChemAxon average_mass 160.213 ChemAxon mono_mass 160.109944375 ChemAxon smiles CC(C)CC1OCC(CO)O1 ChemAxon formula C8H16O3 ChemAxon inchi InChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3 ChemAxon inchikey VLJPLCWWQHTPAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 41.32 ChemAxon polarizability 17.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83181 Specdb::MsMs 83182 Specdb::MsMs 83183 Specdb::MsMs 144723 Specdb::MsMs 144724 Specdb::MsMs 144725 Specdb::MsMs 3605002 Specdb::MsMs 3605003 Specdb::MsMs 3605004 Specdb::MsMs 3605005 Specdb::MsMs 3605006 Specdb::MsMs 3605007 fatty fruity