1.0 2010-04-08 22:14:16 UTC 2017-04-03 04:52:40 UTC FDB019301 Tolualdehyde glyceryl acetal Flavouring ingredient for beverages, baked goods, puddings and candies 1,3-Dioxan-5-ol, 2-(methylphenyl)- (mixed isomers) 2-(Methylphenyl)-1,3-dioxan-5-ol 2-(Methylphenyl)-1,3-dioxolane-4-methanol FEMA 3067 Tolylaldehyde glyceryl acetal C66H84O18 1165.3624 1164.565765884 2-(2-methylphenyl)-1,3-dioxan-5-ol; 2-(3-methylphenyl)-1,3-dioxan-5-ol; 2-(4-methylphenyl)-1,3-dioxan-5-ol; [2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(3-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol 2-(2-methylphenyl)-1,3-dioxan-5-ol; 2-(3-methylphenyl)-1,3-dioxan-5-ol; 2-(4-methylphenyl)-1,3-dioxan-5-ol; [2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(3-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol 56-40-6 CC1=CC=C(C=C1)C1OCC(CO)O1.CC1=CC=C(C=C1)C1OCC(O)CO1.CC1=CC(=CC=C1)C1OCC(CO)O1.CC1=CC(=CC=C1)C1OCC(O)CO1.CC1=CC=CC=C1C1OCC(CO)O1.CC1=CC=CC=C1C1OCC(O)CO1 InChI=1S/6C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11;1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11;1-8-3-2-4-9(5-8)11-13-6-10(12)7-14-11;1-8-3-2-4-9(5-8)11-13-7-10(6-12)14-11;1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11;1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h4*2-5,10-12H,6-7H2,1H3;2*2-5,9,11-12H,6-7H2,1H3 BMZXTVAOESSPPI-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Toluenes Organic compounds Benzenoids Benzene and substituted derivatives Toluenes 1,3-dioxanes 1,3-dioxolanes Acetals Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxane Meta-dioxolane Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Toluene logp 1.84 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(2-methylphenyl)-1,3-dioxan-5-ol; 2-(3-methylphenyl)-1,3-dioxan-5-ol; 2-(4-methylphenyl)-1,3-dioxan-5-ol; [2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(3-methylphenyl)-1,3-dioxolan-4-yl]methanol; [2-(4-methylphenyl)-1,3-dioxolan-4-yl]methanol ChemAxon average_mass 1165.3624 ChemAxon mono_mass 1164.565765884 ChemAxon smiles CC1=CC=C(C=C1)C1OCC(CO)O1.CC1=CC=C(C=C1)C1OCC(O)CO1.CC1=CC(=CC=C1)C1OCC(CO)O1.CC1=CC(=CC=C1)C1OCC(O)CO1.CC1=CC=CC=C1C1OCC(CO)O1.CC1=CC=CC=C1C1OCC(O)CO1 ChemAxon formula C66H84O18 ChemAxon inchi InChI=1S/6C11H14O3/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11;1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11;1-8-3-2-4-9(5-8)11-13-6-10(12)7-14-11;1-8-3-2-4-9(5-8)11-13-7-10(6-12)14-11;1-8-4-2-3-5-10(8)11-13-6-9(12)7-14-11;1-8-4-2-3-5-10(8)11-13-7-9(6-12)14-11/h4*2-5,10-12H,6-7H2,1H3;2*2-5,9,11-12H,6-7H2,1H3 ChemAxon inchikey BMZXTVAOESSPPI-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 52.44 ChemAxon polarizability 21.14 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66780 Specdb::MsMs 66781 Specdb::MsMs 66782 Specdb::MsMs 124425 Specdb::MsMs 124426 Specdb::MsMs 124427 HMDB39672 #<Reference:0x000055ce319f5e48>