1.0 2010-04-08 22:12:16 UTC 2019-11-26 03:12:49 UTC FDB016155 4-Methyl-2-phenyl-1,3-dioxolane Reported in port wine. Flavouring ingredient for beverages and candies. Artifact in benzaldehyde-based artificial flavours. Stabiliser for aspartame in chewing-gum formulations. 4-Methyl-2-phenyl-1,3-dioxolane is found in alcoholic beverages. 1,3-Dioxolane, 4-methyl-2-phenyl- 4-Methyl-2-phenyl-m-dioxolane Benzaldehyde propylene glycol acetal FEMA 2130 C10H12O2 164.2011 164.083729628 4-methyl-2-phenyl-1,3-dioxolane 4-methyl-2-phenyl-1,3-dioxolane 2568-25-4 CC1COC(O1)C1=CC=CC=C1 InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 CDIKGISJRLTLRA-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic heteromonocyclic compounds 1,3-dioxolanes Acetals Hydrocarbon derivatives Oxacyclic compounds Acetal Aromatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxolane Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 1.57 ALOGPS logs -2.18 ALOGPS solubility 1.09e+00 g/l ALOGPS logp 2.37 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-methyl-2-phenyl-1,3-dioxolane ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CC1COC(O1)C1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 ChemAxon inchikey CDIKGISJRLTLRA-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 45.86 ChemAxon polarizability 18.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105993 Specdb::MsMs 105994 Specdb::MsMs 105995 Specdb::MsMs 172626 Specdb::MsMs 172627 Specdb::MsMs 172628 Specdb::MsMs 2769272 Specdb::MsMs 2769273 Specdb::MsMs 2769274 Specdb::MsMs 2912579 Specdb::MsMs 2912580 Specdb::MsMs 2912581 Specdb::CMs 18428 Specdb::CMs 134800 Specdb::CMs 142534 HMDB37160 #<Reference:0x000055ce3277eda8> Alcoholic beverages Unknown generic bitter naphthalic narcissus sweet woody