1.0 2010-04-08 22:12:21 UTC 2015-07-20 23:28:28 UTC FDB016305 Citral propylene glycol acetal Flavouring ingredient 1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl-4-methyl- 1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl- 2-(2,6-Dimethyl-1,5-heptadienyl-4-methyl-1,3-dioxolane 2-(2,6-Dimethyl-1,5-heptadienyl)-4-methyl-1,3-dioxolane 2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane Citral propylene glycol acetal Citral propyleneglycol acetal Citral, 1,2-propylene glycol acetal C13H22O2 210.3126 210.161979948 2-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-4-methyl-1,3-dioxolane 2-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-4-methyl-1,3-dioxolane 10444-50-5 CC1COC(O1)\C=C(/C)CCC=C(C)C InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+ DWZRENGNFQNWQZ-DHZHZOJOSA-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 Acetal Aliphatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxolane Organic oxygen compound Organooxygen compound Oxacycle logp 3.15 ALOGPS logs -2.95 ALOGPS solubility 2.34e-01 g/l ALOGPS logp 3.67 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]-4-methyl-1,3-dioxolane ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CC1COC(O1)\C=C(/C)CCC=C(C)C ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+ ChemAxon inchikey DWZRENGNFQNWQZ-DHZHZOJOSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 64.16 ChemAxon polarizability 25.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24666 Specdb::CMs 137223 Specdb::CMs 144957 Specdb::MsMs 47295 Specdb::MsMs 47296 Specdb::MsMs 47297 Specdb::MsMs 154128 Specdb::MsMs 154129 Specdb::MsMs 154130 Specdb::MsMs 2382251 Specdb::MsMs 2382252 Specdb::MsMs 2382253 Specdb::MsMs 2579616 Specdb::MsMs 2579617 Specdb::MsMs 2579618 HMDB37286 #<Reference:0x000055ce330a6c00> citrus lemon orange sweet