1.0 2010-04-08 22:09:29 UTC 2019-11-26 03:04:36 UTC FDB011129 4-(2-Furanyl)-3-buten-2-one Present in rum and coffee. Flavouring agent. 4-(2-Furanyl)-3-buten-2-one is found in alcoholic beverages and coffee and coffee products. (3E)-4-(2-Furyl)-3-buten-2-one β-2-Furylideneacetone 1-(2-Furyl)but-2-en-3-one 2-(3-Oxobutenyl)furan 2-Furalacetone 2-Furfurylideneacetone 2-Furfurylideneacetone polymer 3-Buten-2-one, 4-(2-furanyl)- 3-Buten-2-one, 4-(2-furanyl)-, homopolymer 3-Buten-2-one, 4-(2-furanyl)-, polymers 3-Buten-2-one, 4-(2-furyl)- 3-Buten-2-one, 4-(2-furyl)- (6CI,8CI) 3-Buten-2-one, 4-(2-furyl)-, polymers 3-Buten-2-one, 4-(2-furyl)-, polymers (8CI) 3-Butene-2-one, 4-(2-furanyl)- 4-(2-Furanyl)-3-butene-2-one 4-(2-Furyl)-3-buten-2-one 4-(2-Furyl)but-3-en-2-one beta -2-Furylideneacetone Fam (monomer) Fam polymer FEMA 2495 Furfural acetone Furfuralacetone Furfuralacetone polymer Furfuryl acetone Furfurylidene acetone polymer Furfurylideneacetone Furfurylideneacetone resin Monofurfurylideneacetone Monomer fam Oramin r Oramin special GR Poly(monofurfurylideneacetone) Polyfurfurylidineacetone Trans-furfurylideneacetone C8H8O2 136.1479 136.0524295 (3Z)-4-(furan-2-yl)but-3-en-2-one (3Z)-4-(furan-2-yl)but-3-en-2-one 623-15-4 CC(=O)\C=C/C1=CC=CO1 InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4- GBKGJMYPQZODMI-PLNGDYQASA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Acryloyl compounds Enones Furans Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Acryloyl-group Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Carbonyl group Enone Furan Heteroaromatic compound Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.42 ALOGPS logs -1.82 ALOGPS solubility 2.07e+00 g/l ALOGPS melting_point 39.5 oC logp 1.53 ChemAxon pka_strongest_acidic 19.61 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (3Z)-4-(furan-2-yl)but-3-en-2-one ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles CC(=O)\C=C/C1=CC=CO1 ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4- ChemAxon inchikey GBKGJMYPQZODMI-PLNGDYQASA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 39 ChemAxon polarizability 14.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25161 Specdb::CMs 158468 Specdb::MsIr 5972 Specdb::MsIr 5973 Specdb::MsMs 321772 Specdb::MsMs 321773 Specdb::MsMs 321774 Specdb::MsMs 369487 Specdb::MsMs 369488 Specdb::MsMs 369489 Specdb::MsMs 2300778 Specdb::MsMs 2300779 Specdb::MsMs 2300780 Specdb::MsMs 3064733 Specdb::MsMs 3064734 Specdb::MsMs 3064735 Specdb::NmrOneD 118218 Specdb::NmrOneD 118219 Specdb::NmrOneD 118220 Specdb::NmrOneD 118221 Specdb::NmrOneD 118222 Specdb::NmrOneD 118223 Specdb::NmrOneD 118224 Specdb::NmrOneD 118225 Specdb::NmrOneD 118226 Specdb::NmrOneD 118227 Specdb::NmrOneD 118228 Specdb::NmrOneD 118229 Specdb::NmrOneD 118230 Specdb::NmrOneD 118231 Specdb::NmrOneD 118232 Specdb::NmrOneD 118233 Specdb::NmrOneD 118234 Specdb::NmrOneD 118235 Specdb::NmrOneD 118236 Specdb::NmrOneD 118237 HMDB33128 #<Reference:0x000055ce323dd6b8> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 balsam cinnamon spicy sweet vanilla warm