1.0 2010-04-08 22:15:42 UTC 2018-05-29 01:51:17 UTC FDB021440 5-Hydroxy-2-phenyl-1,3-dioxane *Benzaldehyde glyceryl acetal*, comprising this compound and/or 2-Phenyl-1,3-dioxolane-4-methanol <ht>CVG62-I</ht>, is used as a food flavouring agent (*FEMA 2129*) 1,3-Dioxan-5-ol, 2-phenyl- 1,3-O-Benzylideneglycerol 2-Phenyl-1,3-dioxan-5-ol 2-Phenyl-1,3-dioxan-5-ol, 9CI cis-1,3-O-Benzylideneglycerol cis-2-Phenyl-1,3-dioxan-5-ol C10H12O3 180.2005 180.07864425 2-phenyl-1,3-dioxan-5-ol 2-phenyl-1,3-dioxan-5-ol 1319-88-6 OC1COC(OC1)C1=CC=CC=C1 InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2 BWKDAAFSXYPQOS-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 Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hydrocarbon derivative Meta-dioxane Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol logp 0.80 ALOGPS logs -0.85 ALOGPS solubility 2.53e+01 g/l ALOGPS logp 1.33 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-phenyl-1,3-dioxan-5-ol ChemAxon average_mass 180.2005 ChemAxon mono_mass 180.07864425 ChemAxon smiles OC1COC(OC1)C1=CC=CC=C1 ChemAxon formula C10H12O3 ChemAxon inchi InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2 ChemAxon inchikey BWKDAAFSXYPQOS-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 47.4 ChemAxon polarizability 18.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22825 Specdb::CMs 42781 Specdb::CMs 146570 Specdb::NmrOneD 112178 Specdb::NmrOneD 112179 Specdb::NmrOneD 112180 Specdb::NmrOneD 112181 Specdb::NmrOneD 112182 Specdb::NmrOneD 112183 Specdb::NmrOneD 112184 Specdb::NmrOneD 112185 Specdb::NmrOneD 112186 Specdb::NmrOneD 112187 Specdb::NmrOneD 112188 Specdb::NmrOneD 112189 Specdb::NmrOneD 112190 Specdb::NmrOneD 112191 Specdb::NmrOneD 112192 Specdb::NmrOneD 112193 Specdb::NmrOneD 112194 Specdb::NmrOneD 112195 Specdb::NmrOneD 112196 Specdb::NmrOneD 112197 Specdb::MsMs 106374 Specdb::MsMs 106375 Specdb::MsMs 106376 Specdb::MsMs 173106 Specdb::MsMs 173107 Specdb::MsMs 173108 Specdb::MsMs 2356389 Specdb::MsMs 2356390 Specdb::MsMs 2356391 Specdb::MsMs 2609267 Specdb::MsMs 2609268 Specdb::MsMs 2609269 HMDB32174 #<Reference:0x000055ce31e7cef8>