1.0 2010-04-08 22:14:16 UTC 2017-04-03 04:52:40 UTC FDB019298 2-Hexyl-1,3-dioxolane-4-methanol Flavouring ingredient for beverages, baked goods and candies 1,3-Dioxolane-4-methanol, 2-hexyl- FEMA 2542 Heptanal 1,2-glyceryl acetal Heptanal glyceryl acetal Heptanal Glyceryl Acetal (1,2 Acetal) Heptanal, 1,2-glyceryl acetal Heptanal, cyclic (hydroxymethyl)ethylene acetal C10H20O3 188.264 188.141244506 (2-hexyl-1,3-dioxolan-4-yl)methanol (2-hexyl-1,3-dioxolan-4-yl)methanol 56-40-6 CCCCCCC1OCC(CO)O1 InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3 TYRXGKKCQUIWGI-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3. 1,3-dioxolanes Organic compounds Organoheterocyclic compounds Dioxolanes 1,3-dioxolanes Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxolane Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol logp 1.48 ALOGPS logs -1.45 ALOGPS solubility 6.66e+00 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2-hexyl-1,3-dioxolan-4-yl)methanol ChemAxon average_mass 188.264 ChemAxon mono_mass 188.141244506 ChemAxon smiles CCCCCCC1OCC(CO)O1 ChemAxon formula C10H20O3 ChemAxon inchi InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-8-9(7-11)13-10/h9-11H,2-8H2,1H3 ChemAxon inchikey TYRXGKKCQUIWGI-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 50.57 ChemAxon polarizability 22.37 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17387 Specdb::CMs 46510 Specdb::CMs 134541 Specdb::CMs 142275 Specdb::NmrOneD 34422 Specdb::NmrOneD 34423 Specdb::NmrOneD 34424 Specdb::NmrOneD 34425 Specdb::NmrOneD 34426 Specdb::NmrOneD 34427 Specdb::NmrOneD 34428 Specdb::NmrOneD 34429 Specdb::NmrOneD 34430 Specdb::NmrOneD 34431 Specdb::NmrOneD 34432 Specdb::NmrOneD 34433 Specdb::NmrOneD 34434 Specdb::NmrOneD 34435 Specdb::NmrOneD 34436 Specdb::NmrOneD 34437 Specdb::NmrOneD 34438 Specdb::NmrOneD 34439 Specdb::NmrOneD 34440 Specdb::NmrOneD 34441 Specdb::MsMs 85569 Specdb::MsMs 85570 Specdb::MsMs 85571 Specdb::MsMs 147684 Specdb::MsMs 147685 Specdb::MsMs 147686 Specdb::MsMs 2388605 Specdb::MsMs 2388606 Specdb::MsMs 2388607 Specdb::MsMs 2574559 Specdb::MsMs 2574560 Specdb::MsMs 2574561 HMDB39669 #<Reference:0x000055ce330bbba0> earthy fungal sweet