1.0 2010-04-08 22:08:44 UTC 2025-11-18 23:17:19 UTC FDB009657 Isovaleraldehyde diethyl acetal Isovaleraldehyde diethyl acetal is a member of the class of 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. Isovaleraldehyde diethyl acetal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isovaleraldehyde diethyl acetal is a fatty and fruity tasting compound and can be found in a number of food items such as green bell pepper, yellow bell pepper, orange bell pepper, and red bell pepper, which makes isovaleraldehyde diethyl acetal a potential biomarker for the consumption of these food products. 1,1-Diethoxy-3-methylbutane 3-Methylbutanal, diethyl acetal Butane, 1,1-diethoxy-3-methyl- Isopentanal diethyl acetal Isovaleraldehyde, diethyl acetal C9H20O2 160.2539 160.146329884 1,1-diethoxy-3-methylbutane 1,1-diethoxy-3-methylbutane 3842-03-3 CCOC(CC(C)C)OCC InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3 DDGBOLJFAMEBOE-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 2.47 ALOGPS logs -2.05 ALOGPS solubility 1.42e+00 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1,1-diethoxy-3-methylbutane ChemAxon average_mass 160.2539 ChemAxon mono_mass 160.146329884 ChemAxon smiles CCOC(CC(C)C)OCC ChemAxon formula C9H20O2 ChemAxon inchi InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3 ChemAxon inchikey DDGBOLJFAMEBOE-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 46.82 ChemAxon polarizability 19.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1665 Specdb::MsMs 96960 Specdb::MsMs 96961 Specdb::MsMs 96962 Specdb::MsMs 161574 Specdb::MsMs 161575 Specdb::MsMs 161576 Specdb::MsMs 3604996 Specdb::MsMs 3604997 Specdb::MsMs 3604998 Specdb::MsMs 3604999 Specdb::MsMs 3605000 Specdb::MsMs 3605001 Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072 fatty fruity