1.0 2010-04-08 22:14:22 UTC 2019-11-26 03:17:30 UTC FDB019451 1-(2-Furanyl)-1-pentanone Volatile constituent of rice smoke flavouring and roast beef. 1-(2-Furanyl)-1-pentanone is found in animal foods. 1-(2-furyl)-1-pentanone 1-Pentanone, 1-(2-furanyl)- 2-Pentanoylfuran 2-Valeroylfuran Butyl furyl ketone C9H12O2 152.1904 152.083729628 1-(furan-2-yl)pentan-1-one 1-(furan-2-yl)pentan-1-one 3194-17-0 CCCCC(=O)C1=CC=CO1 InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 HTOZHTBIOGGHDJ-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones 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 alkyl ketone Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle logp 2.41 ALOGPS logs -2.42 ALOGPS solubility 5.74e-01 g/l ALOGPS logp 2.18 ChemAxon pka_strongest_acidic 15.46 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-(furan-2-yl)pentan-1-one ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles CCCCC(=O)C1=CC=CO1 ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 ChemAxon inchikey HTOZHTBIOGGHDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 42.68 ChemAxon polarizability 17.16 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8344 Specdb::MsIr 8345 Specdb::CMs 23140 Specdb::CMs 167203 Specdb::MsMs 62835 Specdb::MsMs 62836 Specdb::MsMs 62837 Specdb::MsMs 119640 Specdb::MsMs 119641 Specdb::MsMs 119642 Specdb::MsMs 3043615 Specdb::MsMs 3043616 Specdb::MsMs 3043617 Specdb::MsMs 3099742 Specdb::MsMs 3099743 Specdb::MsMs 3099744 HMDB39801 #<Reference:0x000055ce32c8d4e8> caramel sweet