1.0 2010-04-08 22:10:43 UTC 2019-11-26 03:08:26 UTC FDB013452 2-Acetyl-3-methylfuran Present in oils of Perilla frutescens and Elsholtzia ciliata and sesame oil. 2-Acetyl-3-methylfuran is found in fats and oils. 1-(3-Methyl-2-furanyl)ethanone, 9CI Methyl (3-methyl-2-furyl) ketone, 8CI C7H8O2 124.1372 124.0524295 1-(3-methylfuran-2-yl)ethan-1-one 1-(3-methylfuran-2-yl)ethanone 13101-45-6 CC(=O)C1=C(C)C=CO1 InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3 RJBGVAIXGHZIDY-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 0.94 ALOGPS logs -1.06 ALOGPS solubility 1.07e+01 g/l ALOGPS logp 1.1 ChemAxon pka_strongest_acidic 14.64 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 1-(3-methylfuran-2-yl)ethan-1-one ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles CC(=O)C1=C(C)C=CO1 ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3 ChemAxon inchikey RJBGVAIXGHZIDY-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 33.89 ChemAxon polarizability 12.9 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6709 Specdb::MsIr 6710 Specdb::CMs 15975 Specdb::CMs 153542 Specdb::NmrOneD 128028 Specdb::NmrOneD 128029 Specdb::NmrOneD 128030 Specdb::NmrOneD 128031 Specdb::NmrOneD 128032 Specdb::NmrOneD 128033 Specdb::NmrOneD 128034 Specdb::NmrOneD 128035 Specdb::NmrOneD 128036 Specdb::NmrOneD 128037 Specdb::NmrOneD 128038 Specdb::NmrOneD 128039 Specdb::NmrOneD 128040 Specdb::NmrOneD 128041 Specdb::NmrOneD 128042 Specdb::NmrOneD 128043 Specdb::NmrOneD 128044 Specdb::NmrOneD 128045 Specdb::NmrOneD 128046 Specdb::NmrOneD 128047 Specdb::MsMs 81795 Specdb::MsMs 81796 Specdb::MsMs 81797 Specdb::MsMs 142998 Specdb::MsMs 142999 Specdb::MsMs 143000 Specdb::MsMs 2689682 Specdb::MsMs 2689683 Specdb::MsMs 2689684 Specdb::MsMs 2988956 Specdb::MsMs 2988957 Specdb::MsMs 2988958 HMDB34877 #<Reference:0x00007f093c0d2810> Fats and oils Unknown generic