1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:01 UTC FDB012547 2-Pentanone Isolated from soya oil (Glycine max), pineapple and a few other plant sources Pentan-2-one or methyl propyl ketone is a colorless liquid ketone with an odor resembling that of acetone. Its formula is C5H10O. It is sometimes used in very small amounts as a flavoring food additive. Two other ketones, 3-pentanone and methyl isopropyl ketone are isomers of 2-pentanone. 2-Pentanone is found in many foods, some of which are pear, apple, pineapple, and fats and oils. Ethyl acetone Ethylacetone FEMA 2842 Methyl n-propyl ketone Methyl propyl ketone Methyl propyl ketone [UN1249] [Flammable liquid] Methyl-n-propyl ketone Methyl-propyl-cetone Methylpropyl ketone Metylopropyloketon MPK n-C3H7COCH3 N-propyl methyl ketone PENTAN-2-ONE Pentanone Pentanone-2 Propyl methyl ketone C5H10O 86.1323 86.073164942 pentan-2-one 2-pentanone 107-87-9 CCCC(C)=O InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 XNLICIUVMPYHGG-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons Oxygenated hydrocarbons a small molecule methyl ketone pentanone Liquid logp 0.87 ALOGPS logs -0.47 ALOGPS solubility 2.95e+01 g/l ALOGPS melting_point -76.9 oC logp 1.25 ChemAxon pka_strongest_acidic 19.65 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac pentan-2-one ChemAxon average_mass 86.1323 ChemAxon mono_mass 86.073164942 ChemAxon smiles CCCC(C)=O ChemAxon formula C5H10O ChemAxon inchi InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3 ChemAxon inchikey XNLICIUVMPYHGG-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 25.42 ChemAxon polarizability 10.26 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1631 Specdb::MsMs 16133 Specdb::MsMs 16134 Specdb::MsMs 16135 Specdb::MsMs 2418031 Specdb::MsMs 2418032 Specdb::MsMs 2418033 Specdb::MsMs 9461 Specdb::MsMs 9462 Specdb::MsMs 9463 Specdb::MsMs 2548228 Specdb::MsMs 2548229 Specdb::MsMs 2548230 Specdb::MsIr 6501 Specdb::MsIr 6502 Specdb::CMs 5675 Specdb::CMs 26806 Specdb::CMs 27134 Specdb::CMs 28318 Specdb::CMs 29629 Specdb::CMs 101568 Specdb::CMs 101569 Specdb::CMs 101570 Specdb::CMs 101571 Specdb::CMs 130589 Specdb::CMs 138323 Specdb::NmrOneD 3782 Specdb::NmrOneD 4041 Specdb::NmrOneD 125078 Specdb::NmrOneD 125079 Specdb::NmrOneD 125080 Specdb::NmrOneD 125081 Specdb::NmrOneD 125082 Specdb::NmrOneD 125083 Specdb::NmrOneD 125084 Specdb::NmrOneD 125085 Specdb::NmrOneD 125086 Specdb::NmrOneD 125087 Specdb::NmrOneD 125088 Specdb::NmrOneD 125089 Specdb::NmrOneD 125090 Specdb::NmrOneD 125091 Specdb::NmrOneD 125092 Specdb::NmrOneD 125093 Specdb::NmrOneD 125094 Specdb::NmrOneD 125095 Specdb::NmrOneD 125096 Specdb::NmrOneD 125097 HMDB34235 16472 PNH #<Reference:0x000055ac3eb6c8b8> Apple Type 1 specific Malus pumila 283210 Asparagus Type 1 specific Asparagus officinalis 4686 Banana Type 1 specific Musa acuminata 4641 Beer Type 2 specific 0.02 0.02 0.02 mg/100 g Blackberry Type 1 specific Rubus Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Corn Type 1 specific Zea mays 4577 Evergreen blackberry Type 1 specific Rubus laciniatus Fats and oils Unknown generic Fruits Unknown generic Milk (Cow) Type 2 specific 0.288542 0.71 0.00981 mg/100 g Pear Type 1 specific Pyrus communis 23211 Pineapple Type 1 specific Ananas comosus 4615 Sunflower Type 1 specific Helianthus annuus 4232 alcohol banana ether ethereal fishy fruit fruity potato sweet wine woody