1.02010-04-08 22:08:43 UTC2018-05-28 23:25:00 UTCFDB009642(+/-)-Isobutyl 3-methylthiobutyrateIt is used as a food additive .C9H18O2S190.303190.102750512-methylpropyl 3-(methylsulfanyl)butanoate2-methylpropyl 3-(methylsulfanyl)butanoate127931-21-9CSC(C)CC(=O)OCC(C)CInChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3RRGSLXQIRFOAEM-UHFFFAOYSA-Nlogp2.90logs-3.14solubility1.38e-01 g/llogp2.54pka_strongest_basic-7iupac2-methylpropyl 3-(methylsulfanyl)butanoateaverage_mass190.303mono_mass190.10275051smilesCSC(C)CC(=O)OCC(C)CformulaC9H18O2SinchiInChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3inchikeyRRGSLXQIRFOAEM-UHFFFAOYSA-Npolar_surface_area26.3refractivity52.71polarizability21.54rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs16985Specdb::CMs132199Specdb::CMs139933Specdb::MsIr5305Specdb::MsIr5306Specdb::MsMs80649Specdb::MsMs80650Specdb::MsMs80651Specdb::MsMs141570Specdb::MsMs141571Specdb::MsMs141572Specdb::MsMs2812169Specdb::MsMs2812170Specdb::MsMs2812171Specdb::MsMs2896839Specdb::MsMs2896840Specdb::MsMs2896841HMDB32346#<Reference:0x0000555674ef31f0>drypungentstrawberrysweet