1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:34 UTC FDB011854 Quinoline Alkaloid from various plant subspecies including Mentha subspeciesand is also present in cocoa, black tea and scotch whiskey. Flavouring ingredient Quinoline is a heterocyclic aromatic organic compound. It has the formula C9H7N and is a colourless hygroscopic liquid with a strong odour. Aged samples, if exposed to light, become yellow and later brown. Quinoline is only slightly soluble in cold water but dissolves readily in hot water and most organic solvents.; Quinoline is mainly used as a building block to other specialty chemicals. Approximately 4 tonnes are produced annually according to a report published in 2005.[citation needed] Its principal use is as a precursor to 8-hydroxyquinoline, which is a versatile chelating agent and precursor to pesticides. Its 2- and 4-methyl derivatives are precursors to cyanine dyes. Oxidation of quinoline affords quinolinic acid (pyridine-2,3-dicarboxylic acid), a precursor to the herbicide sold under the name "Assert". Quinoline is found in many foods, some of which are tea, alcoholic beverages, cocoa and cocoa products, and herbs and spices. 1-Azanaphthalene 1-Benzazine 1-Benzine 2,3-Benzopyridine Benzo(b)pyridine Benzo[b]pyridine Chinoleine Chinolin Chinoline FEMA 3470 Leucol Leukol Quinolin Quinoline (8CI,9CI) Quinoline [UN2656] [Poison] C9H7N 129.1586 129.057849229 quinoline cinch 91-22-5 C1=CC=C2N=CC=CC2=C1 InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H SMWDFEZZVXVKRB-UHFFFAOYSA-N belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. Quinolines and derivatives Organic compounds Organoheterocyclic compounds Quinolines and derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyridine Quinoline a small molecule azaarene mancude organic heterobicyclic parent ortho-fused heteroarene quinolines Liquid logp 2.19 ALOGPS logs -1.58 ALOGPS solubility 3.37e+00 g/l ALOGPS melting_point Fp -15.6° logp 2.13 ChemAxon pka_strongest_basic 4.5 ChemAxon iupac quinoline ChemAxon average_mass 129.1586 ChemAxon mono_mass 129.057849229 ChemAxon smiles C1=CC=C2N=CC=CC2=C1 ChemAxon formula C9H7N ChemAxon inchi InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H ChemAxon inchikey SMWDFEZZVXVKRB-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 39.98 ChemAxon polarizability 13.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 95 Specdb::MsIr 6225 Specdb::MsIr 6226 Specdb::MsMs 79284 Specdb::MsMs 79285 Specdb::MsMs 79286 Specdb::MsMs 139839 Specdb::MsMs 139840 Specdb::MsMs 139841 Specdb::MsMs 446911 Specdb::MsMs 446912 Specdb::MsMs 446913 Specdb::MsMs 446914 Specdb::MsMs 446915 Specdb::MsMs 448387 Specdb::MsMs 448388 Specdb::MsMs 448389 Specdb::MsMs 448390 Specdb::MsMs 448391 Specdb::MsMs 448392 Specdb::MsMs 448393 Specdb::MsMs 448394 Specdb::MsMs 448395 Specdb::MsMs 448396 Specdb::MsMs 448643 Specdb::MsMs 448644 Specdb::MsMs 448645 Specdb::MsMs 448646 Specdb::CMs 23277 Specdb::CMs 26856 Specdb::CMs 27095 Specdb::CMs 27528 Specdb::CMs 28764 Specdb::CMs 29311 Specdb::CMs 29783 Specdb::CMs 29784 Specdb::CMs 101379 Specdb::CMs 101380 Specdb::CMs 101381 Specdb::CMs 101382 Specdb::CMs 101383 Specdb::CMs 101384 Specdb::CMs 101385 Specdb::CMs 135238 Specdb::CMs 142972 Specdb::NmrOneD 2695 Specdb::NmrOneD 3384 Specdb::NmrOneD 121818 Specdb::NmrOneD 121819 Specdb::NmrOneD 121820 Specdb::NmrOneD 121821 Specdb::NmrOneD 121822 Specdb::NmrOneD 121823 Specdb::NmrOneD 121824 Specdb::NmrOneD 121825 Specdb::NmrOneD 121826 Specdb::NmrOneD 121827 Specdb::NmrOneD 121828 Specdb::NmrOneD 121829 Specdb::NmrOneD 121830 Specdb::NmrOneD 121831 Specdb::NmrOneD 121832 Specdb::NmrOneD 121833 Specdb::NmrOneD 121834 Specdb::NmrOneD 121835 Specdb::NmrOneD 121836 Specdb::NmrOneD 121837 HMDB33731 17362 #<Reference:0x000055ce326d4b50> #<Reference:0x000055ce326d47e0> #<Reference:0x000055ce326d4600> #<Reference:0x000055ce326d42e0> #<Reference:0x000055ce326d3cc8> #<Reference:0x000055ce326d3688> Alcoholic beverages Unknown generic Black tea Type 1 Blackberry Type 1 specific Rubus Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Evergreen blackberry Type 1 specific Rubus laciniatus Fig Type 1 specific Ficus carica 3494 Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 earthy medical musty rubber tobacco Anti-malarial 416 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Preservative 1241 Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes.