1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:10 UTC FDB016603 Orange B Colourant for frankfurter and sausage casings Orange B is a food dye from the azo dye group. It is approved by Food and Drug Administration (FDA) for use only in hot dog and sausage casings or surfaces, only up to 150 ppm of the finished food weight.[citation needed] It usually comes as disodium salt. Acid Orange 137 C.I. 19235 C.I. Acid Orange 137 Ethyl 4,5-dihydro-5-oxo-4-[(4-sulfo-1-naphthalenyl)azo]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate, 9CI Ethyl 5-oxo-4-[(4-sulfo-1-naphthyl)azo]-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylate, 8CI C22H18N4O9S2 546.53 546.051519574 4-[(E)-2-[3-(ethoxycarbonyl)-4-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-5-yl]diazen-1-yl]naphthalene-1-sulfonic acid 4-[(E)-2-[5-(ethoxycarbonyl)-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-3-yl]diazen-1-yl]naphthalene-1-sulfonic acid 15139-76-1 CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O InChI=1S/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+ QUMAZTILKPUCPP-WCWDXBQESA-N belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic heteropolycyclic compounds 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Azacyclic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carboxylic acid esters Cyclic ketones Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylated hydrazones Organic oxides Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Pyrazolines Sulfonyls 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound Aromatic heteropolycyclic compound Arylsulfonic acid or derivatives Azacycle Azo compound Benzenesulfonate Benzenesulfonyl group Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Hydrazone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety N-alkylated hydrazone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrazoline Sulfonyl logp 0.20 ALOGPS logs -4.82 ALOGPS solubility 8.35e-03 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic -2.9 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 4-[(E)-2-[3-(ethoxycarbonyl)-4-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-5-yl]diazen-1-yl]naphthalene-1-sulfonic acid ChemAxon average_mass 546.53 ChemAxon mono_mass 546.051519574 ChemAxon smiles CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O ChemAxon formula C22H18N4O9S2 ChemAxon inchi InChI=1S/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+ ChemAxon inchikey QUMAZTILKPUCPP-WCWDXBQESA-N ChemAxon polar_surface_area 192.43 ChemAxon refractivity 141.05 ChemAxon polarizability 52.25 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 2 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16220 Specdb::MsMs 301924 Specdb::MsMs 301925 Specdb::MsMs 301926 Specdb::MsMs 344536 Specdb::MsMs 344537 Specdb::MsMs 344538 Specdb::MsMs 2748376 Specdb::MsMs 2748377 Specdb::MsMs 2748378 Specdb::MsMs 2933985 Specdb::MsMs 2933986 Specdb::MsMs 2933987 HMDB37522 #<Reference:0x000055ce31fe5ee8>