1.0 2010-04-08 22:08:38 UTC 2018-05-28 23:24:22 UTC FDB009565 Hexanal hexyl isoamyl acetal It is used as a food additive . 1,1-Bis(3-methylbutoxy)-hexane 1,1-Bis(3-methylbutoxy)hexane Hexane, 1,1-bis(3-methylbutoxy)- C17H36O2 272.4665 272.271530396 1-(hexyloxy)-1-(3-methylbutoxy)hexane 1-(hexyloxy)-1-(3-methylbutoxy)hexane 896447-13-5 CCCCCCOC(CCCCC)OCCC(C)C InChI=1S/C17H36O2/c1-5-7-9-11-14-18-17(12-10-8-6-2)19-15-13-16(3)4/h16-17H,5-15H2,1-4H3 BFNIPPNBSJGEQI-UHFFFAOYSA-N belongs to the class of organic compounds known as acetals. Acetals are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. Acetals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Hydrocarbon derivatives Acetal Aliphatic acyclic compound Hydrocarbon derivative logp 6.07 ALOGPS logs -6.64 ALOGPS solubility 6.19e-05 g/l ALOGPS logp 6.21 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1-(hexyloxy)-1-(3-methylbutoxy)hexane ChemAxon average_mass 272.4665 ChemAxon mono_mass 272.271530396 ChemAxon smiles CCCCCCOC(CCCCC)OCCC(C)C ChemAxon formula C17H36O2 ChemAxon inchi InChI=1S/C17H36O2/c1-5-7-9-11-14-18-17(12-10-8-6-2)19-15-13-16(3)4/h16-17H,5-15H2,1-4H3 ChemAxon inchikey BFNIPPNBSJGEQI-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 83.48 ChemAxon polarizability 36.38 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89490 Specdb::MsMs 89491 Specdb::MsMs 89492 Specdb::MsMs 152439 Specdb::MsMs 152440 Specdb::MsMs 152441 Specdb::MsMs 2391259 Specdb::MsMs 2391260 Specdb::MsMs 2391261 Specdb::MsMs 2575336 Specdb::MsMs 2575337 Specdb::MsMs 2575338 Specdb::CMs 22852 Specdb::CMs 135134 Specdb::CMs 142868 HMDB32317 #<Reference:0x000055ce3194bdd0> green sweet