1.0 2010-04-08 22:10:10 UTC 2018-05-28 23:36:50 UTC FDB012444 Acetyl tributyl citrate Flavouring ingredient. Plasticiser used in packaging films for food [DFC]. 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester 2-Acetoxy-1,2, 3-propanetricarboxylic acid tributyl ester 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester 2-Acetyltributylcitrate Acetyl butyl citrate Acetyl tri-n-butyl citrate Acetyl tributyl citrate Acetylcitric acid, tributyl ester Acetyltributyl citrate Acetyltributyl citric acid ATBC Blo-trol Citric acid, tributyl ester, acetate Citric acid, tributyl ester, acetate (8ci) Citroflex a Citroflex A 4 Estaflex FEMA 3080 o-Acetylcitric acid tributyl ester Pfizer citroflex A-4 Tributyl 2-(acetyloxy)-1,2, 3-propanetricarboxylic acid Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid Tributyl 2-acetoxy-1,2, 3-propanetricarboxylate Tributyl 2-acetoxy-1,2,3-propanetricarboxylate tributyl 2-acetoxypropane-1,2,3-tricarboxylate Tributyl 2-acetylcitrate Tributyl acetyl citrate Tributyl acetylcitrate Tributyl acetylicitrate Tributyl citrate acetate Tributyl o-acetylcitrate Uniplex 84 C20H34O8 402.4792 402.225368064 1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate acetyl tributyl citrate 77-90-7 CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 QZCLKYGREBVARF-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tetracarboxylic acid or derivatives Liquid logp 3.77 ALOGPS logs -4.75 ALOGPS solubility 7.13e-03 g/l ALOGPS melting_point -80 oC logp 3.53 ChemAxon pka_strongest_acidic 16.18 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,2,3-tributyl 2-(acetyloxy)propane-1,2,3-tricarboxylate ChemAxon average_mass 402.4792 ChemAxon mono_mass 402.225368064 ChemAxon smiles CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC ChemAxon formula C20H34O8 ChemAxon inchi InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 ChemAxon inchikey QZCLKYGREBVARF-UHFFFAOYSA-N ChemAxon polar_surface_area 105.2 ChemAxon refractivity 100.7 ChemAxon polarizability 44.13 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 950 Specdb::NmrOneD 2633 Specdb::NmrOneD 3319 Specdb::CMs 12227 Specdb::CMs 27124 Specdb::CMs 101530 Specdb::CMs 155560 Specdb::MsMs 107118 Specdb::MsMs 107119 Specdb::MsMs 107120 Specdb::MsMs 174009 Specdb::MsMs 174010 Specdb::MsMs 174011 Specdb::MsMs 2236249 Specdb::MsMs 2237147 Specdb::MsMs 2240405 Specdb::MsMs 2241319 Specdb::MsMs 2242421 Specdb::MsMs 2243414 Specdb::MsMs 2348813 Specdb::MsMs 2348814 Specdb::MsMs 2348815 Specdb::MsMs 2586466 Specdb::MsMs 2586467 Specdb::MsMs 2586468 HMDB34159 #<Reference:0x000055ce322438e8> herbal sweet very faint wine