1.0 2010-04-08 22:12:20 UTC 2018-05-29 01:25:32 UTC FDB016283 2,2,4-Trimethyl-1,3-dioxolane It is used as a food additive 1,2-Isopropylidenepropanediol 1,2-Propanediol acetonide Acetone propylene glycol acetal FEMA 3441 Propylene glycol acetonide C6H12O2 116.1583 116.083729628 2,2,4-trimethyl-1,3-dioxolane 2,2,4-trimethyl-1,3-dioxolane 1193-11-9 CC1COC(C)(C)O1 InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3 ALTFLAPROMVXNX-UHFFFAOYSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteromonocyclic compounds 1,3-dioxolanes Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Hydrocarbon derivative Ketal Meta-dioxolane Organoheterocyclic compound Oxacycle logp 0.95 ALOGPS logs -0.42 ALOGPS solubility 4.37e+01 g/l ALOGPS logp 0.91 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,2,4-trimethyl-1,3-dioxolane ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CC1COC(C)(C)O1 ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3 ChemAxon inchikey ALTFLAPROMVXNX-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 31.18 ChemAxon polarizability 12.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7479 Specdb::CMs 11594 Specdb::CMs 131687 Specdb::CMs 139421 Specdb::NmrOneD 139830 Specdb::NmrOneD 139831 Specdb::NmrOneD 139832 Specdb::NmrOneD 139833 Specdb::NmrOneD 139834 Specdb::NmrOneD 139835 Specdb::NmrOneD 139836 Specdb::NmrOneD 139837 Specdb::NmrOneD 139838 Specdb::NmrOneD 139839 Specdb::NmrOneD 139840 Specdb::NmrOneD 139841 Specdb::NmrOneD 139842 Specdb::NmrOneD 139843 Specdb::NmrOneD 139844 Specdb::NmrOneD 139845 Specdb::NmrOneD 139846 Specdb::NmrOneD 139847 Specdb::NmrOneD 139848 Specdb::NmrOneD 139849 Specdb::MsMs 104538 Specdb::MsMs 104539 Specdb::MsMs 104540 Specdb::MsMs 170844 Specdb::MsMs 170845 Specdb::MsMs 170846 Specdb::MsMs 2839020 Specdb::MsMs 2839021 Specdb::MsMs 2839022 Specdb::MsMs 2870168 Specdb::MsMs 2870169 Specdb::MsMs 2870170 earthy green potato raw vegetable