1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:45 UTC FDB019297 2-Hexyl-1,3-dioxan-5-ol Flavouring agent for beverages, baked goods and candies 1,3-dioxan-5-ol, 2-hexyl- 1,3-Dioxan-5-ol, 2-hexyl-, cis- 1,3-Dioxan-5-ol, 2-hexyl-, trans- 2-Hexyl-cis-1,3-dioxan-5-ol 2-Hexyl-m-dioxan-5-ol 2-Hexyl-trans-1,3-dioxan-5-ol cis2-Hexyl-1,3-dioxan-5-ol Heptanal 1,3-glyceryl acetal m-Dioxan-5-ol, 2-hexyl- trans-2-Hexyl-1,3-dioxan-5-ol C10H20O3 188.264 188.141244506 2-hexyl-1,3-dioxan-5-ol 2-hexyl-1,3-dioxan-5-ol CCCCCCC1OCC(O)CO1 InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3 ZIWLHBBLQRQFSA-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 Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Hydrocarbon derivative Meta-dioxane Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol logp 1.48 ALOGPS logs -1.42 ALOGPS solubility 7.19e+00 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hexyl-1,3-dioxan-5-ol ChemAxon average_mass 188.264 ChemAxon mono_mass 188.141244506 ChemAxon smiles CCCCCCC1OCC(O)CO1 ChemAxon formula C10H20O3 ChemAxon inchi InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3 ChemAxon inchikey ZIWLHBBLQRQFSA-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 50.57 ChemAxon polarizability 22.18 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18604 Specdb::CMs 46509 Specdb::CMs 133807 Specdb::CMs 141541 Specdb::MsMs 88425 Specdb::MsMs 88426 Specdb::MsMs 88427 Specdb::MsMs 151155 Specdb::MsMs 151156 Specdb::MsMs 151157 Specdb::MsMs 3038450 Specdb::MsMs 3038451 Specdb::MsMs 3038452 Specdb::MsMs 3101217 Specdb::MsMs 3101218 Specdb::MsMs 3101219 Specdb::NmrOneD 34402 Specdb::NmrOneD 34403 Specdb::NmrOneD 34404 Specdb::NmrOneD 34405 Specdb::NmrOneD 34406 Specdb::NmrOneD 34407 Specdb::NmrOneD 34408 Specdb::NmrOneD 34409 Specdb::NmrOneD 34410 Specdb::NmrOneD 34411 Specdb::NmrOneD 34412 Specdb::NmrOneD 34413 Specdb::NmrOneD 34414 Specdb::NmrOneD 34415 Specdb::NmrOneD 34416 Specdb::NmrOneD 34417 Specdb::NmrOneD 34418 Specdb::NmrOneD 34419 Specdb::NmrOneD 34420 Specdb::NmrOneD 34421 HMDB39668 #<Reference:0x00007f093c0a1710>