Compound: FURFURAL
SMILES: O=Cc1occc1
InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
Synonyms: FURFURAL, 2-Furaldehyde, furan-2-carbaldehyde, 98-01-1, 2-Furancarboxaldehyde, Furaldehyde, Furfuraldehyde, 2-Formylfuran, Fural, 2-Furanaldehyde, 2-Furancarbonal, 2-Furfuraldehyde, 2-Furfural, Furfurylaldehyde, Furol, Furancarbonal, Furfurole, Pyromucic aldehyde, Furole, 2-Furylaldehyde, 2-Furylcarboxaldehyde, Furale, 2-Furyl-methanal, Furfurale, Furyl-methanal, alpha-Furole, 2-Furylmethanal, 2-Furil-metanale, Quakeral, 2-Formylofuran, 2-Furankarbaldehyd, Nci-C56177, Rcra waste number U125, FEMA No. 2489, DTXSID1020647, DJ1HGI319P, CHEBI:34768, NSC-8841, DTXCID50647, RefChem:5846, 202-627-7, Furfurol, 2-furancarbaldehyde, Furan-2-carboxaldehyde, Fufural, 2-Formyl furan, furan-2-aldehyde, alpha-Furfuraldehyde, MFCD00003229, 2-furanal, .alpha.-Furole, NSC 8841, NCGC00091328-01, Furfural (natural), Furfurale [Italian], Caswell No. 466, Furan-2-carbaldehyde (Furfural), 2-Formylofuran [Polish], 2-Furankarbaldehyd [Czech], CAS-98-01-1, 2-Furil-metanale [Italian], CCRIS 1044, HSDB 542, EINECS 202-627-7, RCRA waste no. U125, UNII-DJ1HGI319P, EPA Pesticide Chemical Code 043301, BRN 0105755, Furaldehydes, Hydrojasmal, Furfurals, Furfuralu, a-furfuraldehyde, Qo furfural, AI3-04466, a-Furole, Furfural ACS grade, furan-2 carbaldehyde, Furfural, 99%, 2-furancarboxyaldehyde, 2-Furaldehyde, 8CI, 2-furan-carboxaldehyde, 2-furancarbox-aldehyde, 2-Furanocarboxyaldehyde, Glucosamine Impurity 9, FURFURAL [FHFI], FURFURAL [HSDB], FURFURAL [IARC], FURFURAL [FCC], FURFURAL [MI], 2-Furylaldehyde xypropane, WLN: T5OJ BVH, EC 202-627-7, SCHEMBL20439, SCHEMBL28980, 5-17-09-00292 (Beilstein Handbook Reference), BIDD:ER0698, Furfural, ACS reagent, 99%, CHEMBL189362, QSPL 006, QSPL 102, SCHEMBL1576835, SCHEMBL2328200, SCHEMBL6398085, SCHEMBL23702321, FEMA 2489, NSC8841, Furfural, >=98%, FCC, FG, Furfural, for synthesis, 98.0%, AAA09801, MSK21046, STR00358, UYB80380, Tox21_111114, Tox21_202191, Tox21_300170, BDBM50486229, EBC-03929, Furaldehydes [UN1199]  [Poison], SBB004386, STL283124, AKOS000118907, Furfural, analytical reference material, Furfural 100 microg/mL in Acetonitrile, Furfural, natural, >=98%, FCC, FG, Furfural, SAJ first grade, >=99.0%, NCGC00091328-02, NCGC00091328-03, NCGC00091328-04, NCGC00253954-01, NCGC00259740-01, BP-31002, DB-003668, CS-0015696, F0073, NS00003316, ST50213385, EN300-18110, ASCORBIC ACID IMPURITY A [EP IMPURITY], Q412429, doi:10.14272/HYBBIBNJHNGZAN-UHFFFAOYSA-N.1, Calcium ascorbate dihydrate Impurity A [EP Impurity], F1294-0048, InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4, Glucosamine Impurity 6; Ascorbic Acid EP Impurity A; Sodium Ascorbate EP Impurity A, 25067-38-3, furfural; furfuraldehyde; furfurol; 2-furaldehyde; 2-furancarboxaldehyde; furan-2-carboxaldehyde
Theoretical properties:
molecular_formula: C5H4O2
molecular_weight: 96.08 g/mol
exact_mass: 96.021129366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 7
topological_polar_surface_area: 30.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, oily liquid ... Turns yellow to brown on exposure to air and light and resinifies
color: Colorless, oily liquid ... Turns yellow to brown on exposure to air and light and resinifies
odor: Peculiar odor, somewhat resembling the odor of benzaldehyde
boiling_point: 323.1 °F at 760 mmHg (NTP, 1992)
melting_point: -33.7 °F (NTP, 1992)
density: 1.159 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: 50 to 100 mg/mL at 64 °F (NTP, 1992)
flash_point: 140 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 68 °F ; 3 mmHg at 86 °F; 10 mmHg at 122 °F (NTP, 1992)
Descriptions:
pubchem: Furfural is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It has a role as a metabolite and a Maillard reaction product. It is an aldehyde and a member of furans. It is functionally related to a furan.
chebi: An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.
chembl: FURFURAL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Furfural is an organic compound with the formula C4H3OCHO. It is a colorless liquid, although commercial samples are often brown. It has an aldehyde group attached to the 2-position of furan. It is a product of the dehydration of sugars, as occurs in a variety of agricultural byproducts, including corncobs, oat, wheat bran, and sawdust. The name furfural comes from the Latin word furfur, meaning bran, referring to its usual source. Furfural is derived only from dried biomass. In addition to ethanol, acetic acid, and sugar, furfural is one of the oldest known organic chemicals available readily purified from natural precursors.