1.02010-04-08 22:06:08 UTC2020-09-17 15:35:10 UTCFDB004219Fur-2-aldehydeFurfural, also known as 2-furaldehyde or 2-furyl-methanal, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. It is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It is a colorless liquid, although commercial samples are often brown. It is a product of the dehydration of sugars, as occur in a variety of agricultural by-products, including corncobs, oat, wheat bran, and sawdust. Furfural was first isolated in 1821 by the German chemist Johann Wolfgang Döbereiner, who produced a small sample as a by-product of formic acid synthesis. Furfural dissolves readily in most polar organic solvents, but it is only slightly soluble in either water or alkanes.C5H4O296.084196.021129372furan-2-carbaldehydebran oilO=CC1=CC=CO1InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4HHYBBIBNJHNGZAN-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring.Aryl-aldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic heteromonocyclic compoundsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsAromatic heteromonocyclic compoundAryl-aldehydeFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganoheterocyclic compoundOxacyclea small moleculealdehydefuranslogp0.43logs-0.79solubility1.54e+01 g/llogp0.75pka_strongest_basic-3iupacfuran-2-carbaldehydeaverage_mass96.0841mono_mass96.021129372smilesO=CC1=CC=CO1formulaC5H4O2inchiInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4HinchikeyHYBBIBNJHNGZAN-UHFFFAOYSA-Npolar_surface_area30.21refractivity25.03polarizability8.87rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1927Specdb::MsIr5778Specdb::MsIr5779Specdb::CMs2974Specdb::CMs27791Specdb::CMs27852Specdb::CMs28733Specdb::CMs29237Specdb::CMs101268Specdb::CMs101269Specdb::CMs101270Specdb::CMs101271Specdb::CMs170563Specdb::NmrOneD4008Specdb::NmrOneD4295Specdb::NmrOneD116558Specdb::NmrOneD116559Specdb::NmrOneD116560Specdb::NmrOneD116561Specdb::NmrOneD116562Specdb::NmrOneD116563Specdb::NmrOneD116564Specdb::NmrOneD116565Specdb::NmrOneD116566Specdb::NmrOneD116567Specdb::NmrOneD116568Specdb::NmrOneD116569Specdb::NmrOneD116570Specdb::NmrOneD116571Specdb::NmrOneD116572Specdb::NmrOneD116573Specdb::NmrOneD116574Specdb::NmrOneD116575Specdb::NmrOneD116576Specdb::NmrOneD116577Specdb::MsMs63972Specdb::MsMs63973Specdb::MsMs63974Specdb::MsMs121017Specdb::MsMs121018Specdb::MsMs121019Specdb::MsMs1474606Specdb::MsMs1474607Specdb::MsMs1474608Specdb::MsMs1474609Specdb::MsMs1474610Specdb::MsMs1474611Specdb::MsMs1474612Specdb::MsMs2798390Specdb::MsMs2798391Specdb::MsMs2798392Specdb::MsMs2883185Specdb::MsMs2883186Specdb::MsMs2883187BeerType 2specific31.531563.00.063mg/100 gOatType 1specificAvena sativa4498Red wineType 292.54245184.90.1849mg/100 g