1.0 2010-04-08 22:06:08 UTC 2025-11-18 22:55:33 UTC FDB004219 Fur-2-aldehyde Furfural, 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. C5H4O2 96.0841 96.021129372 furan-2-carbaldehyde bran oil O=CC1=CC=CO1 InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H HYBBIBNJHNGZAN-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-aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Aryl-aldehyde Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle a small molecule aldehyde furans logp 0.43 ALOGPS logs -0.79 ALOGPS solubility 1.54e+01 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac furan-2-carbaldehyde ChemAxon average_mass 96.0841 ChemAxon mono_mass 96.021129372 ChemAxon smiles O=CC1=CC=CO1 ChemAxon formula C5H4O2 ChemAxon inchi InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H ChemAxon inchikey HYBBIBNJHNGZAN-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 25.03 ChemAxon polarizability 8.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1927 Specdb::MsIr 5778 Specdb::MsIr 5779 Specdb::CMs 2974 Specdb::CMs 27791 Specdb::CMs 27852 Specdb::CMs 28733 Specdb::CMs 29237 Specdb::CMs 101268 Specdb::CMs 101269 Specdb::CMs 101270 Specdb::CMs 101271 Specdb::CMs 170563 Specdb::NmrOneD 4008 Specdb::NmrOneD 4295 Specdb::NmrOneD 116558 Specdb::NmrOneD 116559 Specdb::NmrOneD 116560 Specdb::NmrOneD 116561 Specdb::NmrOneD 116562 Specdb::NmrOneD 116563 Specdb::NmrOneD 116564 Specdb::NmrOneD 116565 Specdb::NmrOneD 116566 Specdb::NmrOneD 116567 Specdb::NmrOneD 116568 Specdb::NmrOneD 116569 Specdb::NmrOneD 116570 Specdb::NmrOneD 116571 Specdb::NmrOneD 116572 Specdb::NmrOneD 116573 Specdb::NmrOneD 116574 Specdb::NmrOneD 116575 Specdb::NmrOneD 116576 Specdb::NmrOneD 116577 Specdb::MsMs 63972 Specdb::MsMs 63973 Specdb::MsMs 63974 Specdb::MsMs 121017 Specdb::MsMs 121018 Specdb::MsMs 121019 Specdb::MsMs 1474606 Specdb::MsMs 1474607 Specdb::MsMs 1474608 Specdb::MsMs 1474609 Specdb::MsMs 1474610 Specdb::MsMs 1474611 Specdb::MsMs 1474612 Specdb::MsMs 2798390 Specdb::MsMs 2798391 Specdb::MsMs 2798392 Specdb::MsMs 2883185 Specdb::MsMs 2883186 Specdb::MsMs 2883187 HMDB0032914 Beer Type 2 specific 31.5315 63.0 0.063 mg/100 g Oat Type 1 specific Avena sativa 4498 Red wine Type 2 92.54245 184.9 0.1849 mg/100 g