1.0 2010-04-08 22:04:48 UTC 2025-11-18 22:27:16 UTC FDB001016 Ethyl nicotinate Ethyl nicotinate, also known as nicotine acid ethyl ester or mucotherm, is a member of the class of compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Ethyl nicotinate is soluble (in water) and a strong basic compound (based on its pKa). Ethyl nicotinate can be found in sweet orange, which makes ethyl nicotinate a potential biomarker for the consumption of this food product. Ethyl nicotinate exists in all eukaryotes, ranging from yeast to humans. β-Pyridinecarboxylic acid ethyl ester 3-(Ethoxycarbonyl)pyridine 3-Carbethoxypyridine 3-Pyridinecarboxylic acid, ethyl ester beta-Pyridinecarboxylic acid ethyl ester Ethyl 3-pyridinecarboxylate Ethyl nicotinate Ethylnicotinate Nicotinic acid ethyl ester Picolinic acid ethyl ester C8H9NO2 151.1626 151.063328537 ethyl pyridine-3-carboxylate nicotinic acid, ethyl ester 614-18-6 CCOC(=O)C1=CN=CC=C1 InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3 XBLVHTDFJBKJLG-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Pyridinecarboxylic acids Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Carboxylic acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboxylic acid derivative Carboxylic acid ester Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine carboxylic acid logp 1.17 ALOGPS logs -0.12 ALOGPS solubility 1.14e+02 g/l ALOGPS melting_point Mp 126-127° (as hydrochloride) logp 1.12 ChemAxon pka_strongest_basic 3.24 ChemAxon iupac ethyl pyridine-3-carboxylate ChemAxon average_mass 151.1626 ChemAxon mono_mass 151.063328537 ChemAxon smiles CCOC(=O)C1=CN=CC=C1 ChemAxon formula C8H9NO2 ChemAxon inchi InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3 ChemAxon inchikey XBLVHTDFJBKJLG-UHFFFAOYSA-N ChemAxon polar_surface_area 39.19 ChemAxon refractivity 40.68 ChemAxon polarizability 15.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2663 Specdb::CMs 131175 Specdb::CMs 138909 Specdb::MsIr 9728 Specdb::MsIr 9729 Specdb::MsMs 63366 Specdb::MsMs 63367 Specdb::MsMs 63368 Specdb::MsMs 120315 Specdb::MsMs 120316 Specdb::MsMs 120317 Specdb::MsMs 2379549 Specdb::MsMs 2379550 Specdb::MsMs 2379551 Specdb::MsMs 2556756 Specdb::MsMs 2556757 Specdb::MsMs 2556758 Specdb::NmrOneD 4507 Specdb::NmrOneD 4633 Specdb::NmrOneD 53242 Specdb::NmrOneD 53243 Specdb::NmrOneD 53244 Specdb::NmrOneD 53245 Specdb::NmrOneD 53246 Specdb::NmrOneD 53247 Specdb::NmrOneD 53248 Specdb::NmrOneD 53249 Specdb::NmrOneD 53250 Specdb::NmrOneD 53251 Specdb::NmrOneD 53252 Specdb::NmrOneD 53253 Specdb::NmrOneD 53254 Specdb::NmrOneD 53255 Specdb::NmrOneD 53256 Specdb::NmrOneD 53257 Specdb::NmrOneD 53258 Specdb::NmrOneD 53259 Specdb::NmrOneD 53260 Specdb::NmrOneD 53261 HMDB0059846 547291 Beer Type 2 specific 1.5 1.5 1.5 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711