Compound: Furaneol
SMILES: O=C1C(O)=C(C)OC1C
InChIKey: INAXVXBDKKUCGI-UHFFFAOYSA-N
Synonyms: Furaneol, 3658-77-3, 4-hydroxy-2,5-dimethylfuran-3(2H)-one, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-Hydroxy-2,5-dimethyl-3(2H)furanone, Dimethylhydroxy furanone, Pineapple ketone, Alletone, Strawberry furanone, 4-hydroxy-2,5-dimethylfuran-3-one, 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, Coe 536, 2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one, FEMA No. 3174, 2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran, 4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one, 20PI8YZP7A, DTXSID0041517, 3(2H)-FURANONE, 2,5-DIMETHYL-4-HYDROXY-, DTXCID8021517, CHEBI:76247, 2,5-DIMETHYLDIHYDROFURANOLONE, 2,5-dimethyl-4-hydroxy-3[2h]-furanone, 4-HDMF, RefChem:607777, 222-908-8, 4-hydroxy-2,5-dimethyl-3-furanone, MFCD00010706, FEMA 3174, 4-Hydroxy-2,5-dimethylfuran-2(3H)-one, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone-13C2, Strawberry furanone 25% in PG, 4-hydroxy-2,5-dimethyl-2-hydrofuran-3-one, EINECS 222-908-8, UNII-20PI8YZP7A, BRN 1281357, 2,5-Dimethyl-4-hydroxy-3(2H)-furanone (Technical Grade), CCRIS 8102, 192466-95-8, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone (natural), Furaneol (Standard), ALNOSE, HDMF, 4-hydroxy-2,5-dimethyl-furan-3-one, dimethylhydroxyfuranone, (+/-)-Furaneol, GlyTouCan:G25051CJ, SCHEMBL57008, orb1301704, CHEMBL3186302, DIMETHYL DIHYDROFURANOLONE, SCHEMBL12613839, HSDB 8322, HY-N7093R, G25051CJ, HY-N7093, Tox21_300823, AC8010, MSK014149, s5178, SBB058632, AKOS015900499, CS-W013470, EBC-152192, FH30957, MSK014149-100B, SB60884, Furaneol Solution in Acetone, 100ug/mL, MSK014149-1000B, NCGC00248185-01, NCGC00254727-01, 2,5-dimethyl-4-hydroxy-2h-furan-3-one, 2,5-dimethyl-4-hydroxy-3[2H] furanone, 4-hydroxy-2,5-dimethyl-3-oxo-2H-furan, AC-14027, AS-15673, SY035594, CAS-3658-77-3, Furaneol Solution in Acetone, 1000ug/mL, 2,5-dimethyl-4-hydroxy-3-(2H)-furanone, 2.5-dimethyl-4-hydroxy-3-(2H)-furanone, 4-hydroxy-2,5-dimethyl-furan-3(2H)-one, DB-003486, 2,5-dimethyl-4-hydroxy-(2h)-furan-3-one, 2,5-dimethyl-4-hydroxy-3-oxo-(2H)-furan, D1569, D1884, NS00012307, ST51036381, C20717, EN300-175904, 2,3-Dihydro-4-hydroxy-2,5-dimethyl-3-furanone, 4-oxo-3-hydroxy-2,5-dimethyl-4,5-dihydrofuran, F235747, Q250455, 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FCC], 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FHFI], Z1255395050, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=99.0% (GC), 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=98%, FCC, FG, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, analytical standard, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, natural, >=98%, FG, InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 15 wt. % (in propylene glycol), FG
Theoretical properties:
molecular_formula: C6H8O3
molecular_weight: 128.13 g/mol
exact_mass: 128.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Beige powder
color: Beige powder
odor: Relatively weak, nonspecific odor; dilute solutions develop a pineapple, strawberry-like odor
boiling_point: 216 °C
melting_point: 77-79 °C
solubility: In water, 0.315 g/mL at 25 °C
vapor_pressure: 0.008 mm Hg at 25 °C
Descriptions:
pubchem: 4-hydroxy-2,5-dimethylfuran-3-one is a member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a member of furans, an enol and a cyclic ketone. It is a conjugate acid of a 4-hydroxy-2,5-dimethylfuran-3-olate.
chebi: A member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Furaneol, or strawberry furanone, is an organic compound used in the flavor, perfume and cosmetics industry. It is formally a derivative of furan.  It is a white or colorless solid that is soluble in water and organic solvents.