1.0 2016-10-03 18:41:17 UTC 2020-06-04 19:28:06 UTC BMDB0034235 BMDB34235 2-Pentanone 2-Pentanone, also known as ethyl acetone or fema 2842, 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. Thus, 2-pentanone is considered to be an oxygenated hydrocarbon lipid molecule. 2-Pentanone exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 2-Pentanone has been found to be associated with several diseases known as ulcerative colitis, nonalcoholic fatty liver disease, and crohn's disease; also 2-pentanone has been linked to the inborn metabolic disorders including celiac disease. Methyl propyl ketone Ethyl acetone Ethylacetone FEMA 2842 Methyl N-propyl ketone 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 2-Pentanone 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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons Oxygenated hydrocarbons a small molecule methyl ketone pentanone Liquid melting_point -76.9 °C water_solubility 43 mg/mL at 25 °C logp 0.91 logp 0.87 ALOGPS logs -0.47 ALOGPS 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 number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 6501 Specdb::MsIr 6502 Specdb::EiMs 1631 Specdb::MsMs 9461 Specdb::MsMs 9462 Specdb::MsMs 9463 Specdb::MsMs 16133 Specdb::MsMs 16134 Specdb::MsMs 16135 Specdb::MsMs 2418031 Specdb::MsMs 2418032 Specdb::MsMs 2418033 Specdb::MsMs 2548228 Specdb::MsMs 2548229 Specdb::MsMs 2548230 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 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 Milk 0.00981 +/- 0.00395 uM In raw milk samples for diets based on grass silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.0111 +/- 0.00514 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.0118 +/- 0.00120 uM In raw milk samples for diets based on hay Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.71 +/- 0.38 mg/100g dry matter content Italian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 Milk 0.7 +/- 0.3 mg/100g dry matter content Slovenian raw milk Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009 FDB012547 7607 7895 C00052133 PNH C01949 16472 PENTAN-2-ONE Pentan-2-one Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Brigitta Gaspardo et al. Determination of volatile fractions in raw milk and ripened cheese by means of GC-MS. Results of a survey performed in the marginal area between Italy and Slovenia. Italian Jounal of Animal Science Vol 8, 377-390, 2009