1.0 2010-04-08 22:15:43 UTC 2018-05-29 01:51:28 UTC FDB021477 5-Hydroxy-2-benzyl-1,3-dioxane Mixture with 2-Benzyl-5-hydroxymethyl-1,3-dioxolane <ht>NZC06-T</ht> is used as a flavouring ingredient 2-(Phenylmethyl)-1,3-dioxan-5-ol, 9CI 2-Benzyl-1,3-dioxan-5-ol C11H14O3 194.2271 194.094294314 2-benzyl-1,3-dioxan-5-ol 2-benzyl-1,3-dioxan-5-ol 4740-79-8 OC1COC(CC2=CC=CC=C2)OC1 InChI=1S/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 SCBQUBIXYNMXER-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 1.01 ALOGPS logs -1.23 ALOGPS solubility 1.14e+01 g/l ALOGPS logp 1.39 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-benzyl-1,3-dioxan-5-ol ChemAxon average_mass 194.2271 ChemAxon mono_mass 194.094294314 ChemAxon smiles OC1COC(CC2=CC=CC=C2)OC1 ChemAxon formula C11H14O3 ChemAxon inchi InChI=1S/C11H14O3/c12-10-7-13-11(14-8-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 ChemAxon inchikey SCBQUBIXYNMXER-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 52.27 ChemAxon polarizability 20.54 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9790 Specdb::CMs 47351 Specdb::CMs 131414 Specdb::CMs 139148 Specdb::MsMs 287650 Specdb::MsMs 287651 Specdb::MsMs 287652 Specdb::MsMs 326536 Specdb::MsMs 326537 Specdb::MsMs 326538 Specdb::MsMs 2764698 Specdb::MsMs 2764699 Specdb::MsMs 2764700 Specdb::MsMs 2943697 Specdb::MsMs 2943698 Specdb::MsMs 2943699 Specdb::NmrOneD 47062 Specdb::NmrOneD 47063 Specdb::NmrOneD 47064 Specdb::NmrOneD 47065 Specdb::NmrOneD 47066 Specdb::NmrOneD 47067 Specdb::NmrOneD 47068 Specdb::NmrOneD 47069 Specdb::NmrOneD 47070 Specdb::NmrOneD 47071 Specdb::NmrOneD 47072 Specdb::NmrOneD 47073 Specdb::NmrOneD 47074 Specdb::NmrOneD 47075 Specdb::NmrOneD 47076 Specdb::NmrOneD 47077 Specdb::NmrOneD 47078 Specdb::NmrOneD 47079 Specdb::NmrOneD 47080 Specdb::NmrOneD 47081 HMDB41505 #<Reference:0x000055ce3068ae30>