1.0 2010-04-08 22:08:50 UTC 2018-05-28 23:26:08 UTC FDB009866 2-(4-Methyl-5-thiazolyl)ethyl octanoate It is used as a food additive . C14H23NO2S 269.403 269.144949675 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate 163266-17-9 CCCCCCCC(=O)OCCC1=C(C)N=CS1 InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3 OGJATLSJIMPQBD-UHFFFAOYSA-N belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 4,5-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds 4,5-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 4.71 ALOGPS logs -4.46 ALOGPS solubility 9.30e-03 g/l ALOGPS logp 3.78 ChemAxon pka_strongest_basic 2.52 ChemAxon iupac 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate ChemAxon average_mass 269.403 ChemAxon mono_mass 269.144949675 ChemAxon smiles CCCCCCCC(=O)OCCC1=C(C)N=CS1 ChemAxon formula C14H23NO2S ChemAxon inchi InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3 ChemAxon inchikey OGJATLSJIMPQBD-UHFFFAOYSA-N ChemAxon polar_surface_area 39.19 ChemAxon refractivity 74.11 ChemAxon polarizability 31.44 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14970 Specdb::CMs 150164 Specdb::MsMs 44553 Specdb::MsMs 44554 Specdb::MsMs 44555 Specdb::MsMs 172758 Specdb::MsMs 172759 Specdb::MsMs 172760 Specdb::MsMs 2806286 Specdb::MsMs 2806287 Specdb::MsMs 2806288 Specdb::MsMs 2875940 Specdb::MsMs 2875941 Specdb::MsMs 2875942 HMDB32423 #<Reference:0x000055ce318431e0> nutty roasted