1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:51 UTC FDB014843 2,4,6-Trimethyl-4-phenyl-1,3-dioxane Fragrance ingredient with a grapefruit-like aroma 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl- Floralate Vertacetal C13H18O2 206.2808 206.13067982 2,4,6-trimethyl-4-phenyl-1,3-dioxane 2,4,6-trimethyl-4-phenyl-1,3-dioxane 5182-36-5 CC1CC(C)(OC(C)O1)C1=CC=CC=C1 InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 IEZPIUQRQRWIFE-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3. 1,3-dioxanes Organic compounds Organoheterocyclic compounds Dioxanes 1,3-dioxanes Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Hydrocarbon derivatives Oxacyclic compounds Acetal Aromatic heteromonocyclic compound Benzenoid Hydrocarbon derivative Meta-dioxane Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Oxacycle logp 3.19 ALOGPS logs -3.36 ALOGPS solubility 8.93e-02 g/l ALOGPS logp 2.79 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,4,6-trimethyl-4-phenyl-1,3-dioxane ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CC1CC(C)(OC(C)O1)C1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 ChemAxon inchikey IEZPIUQRQRWIFE-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 59.94 ChemAxon polarizability 23.75 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19388 Specdb::CMs 156699 Specdb::MsMs 71004 Specdb::MsMs 71005 Specdb::MsMs 71006 Specdb::MsMs 129582 Specdb::MsMs 129583 Specdb::MsMs 129584 Specdb::MsMs 2790491 Specdb::MsMs 2790492 Specdb::MsMs 2790493 Specdb::MsMs 2915555 Specdb::MsMs 2915556 Specdb::MsMs 2915557 HMDB36025 #<Reference:0x000055ce32221f68> citrus fresh gardenia green natural