1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:01 UTC FDB019908 Oxalic acid dibutyl ester Constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Oxalic acid dibutyl ester is found in tea and nuts. Butyl ethanedioate Butyl oxalate Di-n-butyl oxalate Dibutyl ester of oxalic acid Dibutyl oxalate Ethanedioic acid, 1,2-dibutyl ester Ethanedioic acid, dibutyl ester Oxalic acid Oxalic acid di-n-butyl ester Oxalic acid, dibutyl ester Oxalic acid, dibutyl ester (8CI) C10H18O4 202.2475 202.120509064 dibutyl oxalate dibutyl oxalate 2050-60-4 CCCCOC(=O)C(=O)OCCCC InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 JKRZOJADNVOXPM-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 2.80 ALOGPS logs -2.93 ALOGPS solubility 2.37e-01 g/l ALOGPS melting_point Mp -29° logp 3.14 ChemAxon pka_strongest_basic -8 ChemAxon iupac dibutyl oxalate ChemAxon average_mass 202.2475 ChemAxon mono_mass 202.120509064 ChemAxon smiles CCCCOC(=O)C(=O)OCCCC ChemAxon formula C10H18O4 ChemAxon inchi InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 ChemAxon inchikey JKRZOJADNVOXPM-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 51.72 ChemAxon polarizability 22.81 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8754 Specdb::MsIr 8755 Specdb::MsMs 58077 Specdb::MsMs 58078 Specdb::MsMs 58079 Specdb::MsMs 113925 Specdb::MsMs 113926 Specdb::MsMs 113927 Specdb::MsMs 2271336 Specdb::MsMs 2271337 Specdb::MsMs 2271338 Specdb::MsMs 3067355 Specdb::MsMs 3067356 Specdb::MsMs 3067357 Specdb::CMs 10802 Specdb::CMs 26973 Specdb::CMs 28075 Specdb::CMs 28117 Specdb::CMs 28197 Specdb::CMs 28219 Specdb::CMs 102059 Specdb::CMs 102060 Specdb::CMs 102061 Specdb::CMs 102062 Specdb::CMs 102063 Specdb::CMs 137233 Specdb::CMs 144967 HMDB40196 #<Reference:0x000055ce319a08f8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Nuts Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442