1.0 2010-04-08 22:14:50 UTC 2019-11-26 03:18:35 UTC FDB020165 1,1-Dimethoxyheptane Flavouring ingredient 1,1-Dimethoxy-heptane 1,1-Dimethoxyheptane Aldehyde C-7 dimethyl acetal Enanthal dimethyl acetal FEMA 2541 Heptaldehyde dimethyl acetal Heptanal dimethyl acetal Heptanal, dimethyl acetal Heptane, 1,1-dimethoxy- N-heptanal dimethyl acetal Oenanthal dimethyl acetal C9H20O2 160.2539 160.146329884 1,1-dimethoxyheptane 1,1-dimethoxyheptane 10032-05-0 CCCCCCC(OC)OC InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3 BBMCNYFBAIUERL-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 2.53 ALOGPS logs -2.59 ALOGPS solubility 4.12e-01 g/l ALOGPS logp 2.83 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1,1-dimethoxyheptane ChemAxon average_mass 160.2539 ChemAxon mono_mass 160.146329884 ChemAxon smiles CCCCCCC(OC)OC ChemAxon formula C9H20O2 ChemAxon inchi InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3 ChemAxon inchikey BBMCNYFBAIUERL-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 46.58 ChemAxon polarizability 20.22 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8961 Specdb::MsMs 96936 Specdb::MsMs 96937 Specdb::MsMs 96938 Specdb::MsMs 161547 Specdb::MsMs 161548 Specdb::MsMs 161549 Specdb::MsMs 2346686 Specdb::MsMs 2346687 Specdb::MsMs 2346688 Specdb::MsMs 2591560 Specdb::MsMs 2591561 Specdb::MsMs 2591562 Specdb::CMs 15747 Specdb::CMs 29195 Specdb::CMs 102144 Specdb::CMs 170770 HMDB40432 #<Reference:0x000055ce2dc627c0> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus fruity green orange privet tropical