1.02010-04-08 22:05:44 UTC2019-11-26 02:58:45 UTCFDB0032701,1-Diethoxy-2-methylpropane1,1-diethoxy-2-methylpropane 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. 1,1-diethoxy-2-methylpropane is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,1-diethoxy-2-methylpropane can be found in a number of food items such as green bell pepper, red bell pepper, pepper (c. annuum), and orange bell pepper, which makes 1,1-diethoxy-2-methylpropane a potential biomarker for the consumption of these food products. 1,1-Diethoxy-2-methylpropane, 9CI1,1-Diethoxyisobutane2-Methylpropanal diethyl acetalIsobutanal diethyl acetalIsobutylaldehyde diethyl acetalIsobutyraldehyde, diethyl acetalPropane, 1,1-diethoxy-2-methyl-C8H18O2146.2273146.130679821,1-diethoxy-2-methylpropane1,1-diethoxy-2-methylpropane1741-41-9CCOC(OCC)C(C)CInChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3KZDFOVZPOBSHDH-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.AcetalsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthersAliphatic acyclic compoundsHydrocarbon derivativesAcetalAliphatic acyclic compoundHydrocarbon derivativelogp1.85logs-1.50solubility4.67e+00 g/llogp2.25pka_strongest_basic-4iupac1,1-diethoxy-2-methylpropaneaverage_mass146.2273mono_mass146.13067982smilesCCOC(OCC)C(C)CformulaC8H18O2inchiInChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3inchikeyKZDFOVZPOBSHDH-UHFFFAOYSA-Npolar_surface_area18.46refractivity42.09polarizability17.9rotatable_bond_count5acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::NmrOneD3852Specdb::NmrOneD4119Specdb::EiMs1729Specdb::MsMs61698Specdb::MsMs61699Specdb::MsMs61700Specdb::MsMs118275Specdb::MsMs118276Specdb::MsMs118277Specdb::MsMs3599159Specdb::MsMs3599160Specdb::MsMs3599161Specdb::MsMs3599162Specdb::MsMs3599163Specdb::MsMs3599164Green bell pepperType 1specificCapsicum annuum4072Orange bell pepperType 1specificCapsicum annuum4072PepperType 1specificCapsicum annuum4072Red bell pepperType 1specificCapsicum annuum4072Yellow bell pepperType 1specificCapsicum annuum4072