1.0 2010-04-08 22:12:12 UTC 2019-11-26 03:12:41 UTC FDB016056 2-Acetyl-6-methylpyridine Minor component of rum. Flavour modifying agent for coffee. 2-Acetyl-6-methylpyridine is found in alcoholic beverages and coffee and coffee products. 1-(6-Methyl-2-pyridinyl)ethanone 1-(6-Methyl-2-pyridinyl)ethanone, 9CI 6-Acetyl-2-picoline Ketone, methyl 6-methyl-2-pyridyl Methyl 6-methyl-2-pyridyl ketone, 8CI C8H9NO 135.1632 135.068413915 1-(6-methylpyridin-2-yl)ethan-1-one 1-(6-methylpyridin-2-yl)ethanone 6940-57-4 CC(=O)C1=CC=CC(C)=N1 InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3 FPQMUQPPAYCAME-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 Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine logp 1.26 ALOGPS logs -0.28 ALOGPS solubility 7.04e+01 g/l ALOGPS logp 0.83 ChemAxon pka_strongest_acidic 15.04 ChemAxon pka_strongest_basic 3.48 ChemAxon iupac 1-(6-methylpyridin-2-yl)ethan-1-one ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles CC(=O)C1=CC=CC(C)=N1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3 ChemAxon inchikey FPQMUQPPAYCAME-UHFFFAOYSA-N ChemAxon polar_surface_area 29.96 ChemAxon refractivity 38.52 ChemAxon polarizability 14.62 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7376 Specdb::MsIr 7377 Specdb::CMs 11918 Specdb::CMs 151984 Specdb::NmrOneD 138630 Specdb::NmrOneD 138631 Specdb::NmrOneD 138632 Specdb::NmrOneD 138633 Specdb::NmrOneD 138634 Specdb::NmrOneD 138635 Specdb::NmrOneD 138636 Specdb::NmrOneD 138637 Specdb::NmrOneD 138638 Specdb::NmrOneD 138639 Specdb::NmrOneD 138640 Specdb::NmrOneD 138641 Specdb::NmrOneD 138642 Specdb::NmrOneD 138643 Specdb::NmrOneD 138644 Specdb::NmrOneD 138645 Specdb::NmrOneD 138646 Specdb::NmrOneD 138647 Specdb::NmrOneD 138648 Specdb::NmrOneD 138649 Specdb::MsMs 11747 Specdb::MsMs 11748 Specdb::MsMs 11749 Specdb::MsMs 18419 Specdb::MsMs 18420 Specdb::MsMs 18421 Specdb::MsMs 2299851 Specdb::MsMs 2299852 Specdb::MsMs 2299853 Specdb::MsMs 2638660 Specdb::MsMs 2638661 Specdb::MsMs 2638662 HMDB37072 #<Reference:0x000055ac3c1bfe98> 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