1.0 2010-04-08 22:15:43 UTC 2018-05-29 01:51:28 UTC FDB021478 2-Benzyl-5-hydroxymethyl-1,3-dioxolane Mixture with 5-Hydroxy-2-benzyl-1,3-dioxane <ht>NZC05-S</ht> is used as a flavouring ingredient 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)- 1,3-Dioxolane-4-methanol, 2-benzyl- 1,3-Dioxolane, 2-benzyl-4-hydroxymethyl- 2-(Phenylmethyl)-1,3-dioxolane-4-methanol 2-Benzyl-1,3-dioxolan-4-ylmethanol 2-Benzyl-1,3-dioxolane-4-methanol 2-Benzyl-4-hydroxymethyl-1,3-dioxane 2-Benzyl-4-hydroxymethyl-1,3-dioxolane 2-Benzyl-4-methanol-1,3-dioxane 4-(Hydroxymethyl)-2-benzyl-1,3-dioxolane FEMA 2877 C11H14O3 194.2271 194.094294314 (2-benzyl-1,3-dioxolan-4-yl)methanol (2-benzyl-1,3-dioxolan-4-yl)methanol 5694-72-4 OCC1COC(CC2=CC=CC=C2)O1 InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 ZPENOSKWEKGDCX-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 Primary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxolane Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol logp 0.87 ALOGPS logs -1.33 ALOGPS solubility 9.07e+00 g/l ALOGPS logp 1.39 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2-benzyl-1,3-dioxolan-4-yl)methanol ChemAxon average_mass 194.2271 ChemAxon mono_mass 194.094294314 ChemAxon smiles OCC1COC(CC2=CC=CC=C2)O1 ChemAxon formula C11H14O3 ChemAxon inchi InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 ChemAxon inchikey ZPENOSKWEKGDCX-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 52.27 ChemAxon polarizability 20.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23792 Specdb::CMs 47352 Specdb::CMs 168701 Specdb::MsMs 107808 Specdb::MsMs 107809 Specdb::MsMs 107810 Specdb::MsMs 174879 Specdb::MsMs 174880 Specdb::MsMs 174881 Specdb::MsMs 2422722 Specdb::MsMs 2422723 Specdb::MsMs 2422724 Specdb::MsMs 2512800 Specdb::MsMs 2512801 Specdb::MsMs 2512802 Specdb::NmrOneD 47082 Specdb::NmrOneD 47083 Specdb::NmrOneD 47084 Specdb::NmrOneD 47085 Specdb::NmrOneD 47086 Specdb::NmrOneD 47087 Specdb::NmrOneD 47088 Specdb::NmrOneD 47089 Specdb::NmrOneD 47090 Specdb::NmrOneD 47091 Specdb::NmrOneD 47092 Specdb::NmrOneD 47093 Specdb::NmrOneD 47094 Specdb::NmrOneD 47095 Specdb::NmrOneD 47096 Specdb::NmrOneD 47097 Specdb::NmrOneD 47098 Specdb::NmrOneD 47099 Specdb::NmrOneD 47100 Specdb::NmrOneD 47101 HMDB41506 #<Reference:0x000055ce3052dc68>