1.02010-04-08 22:10:14 UTC2019-11-26 03:07:01 UTCFDB0125472-PentanoneIsolated 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 acetoneEthylacetoneFEMA 2842Methyl n-propyl ketoneMethyl propyl ketoneMethyl propyl ketone [UN1249] [Flammable liquid]Methyl-n-propyl ketoneMethyl-propyl-cetoneMethylpropyl ketoneMetylopropyloketonMPKn-C3H7COCH3N-propyl methyl ketonePENTAN-2-ONEPentanonePentanone-2Propyl methyl ketoneC5H10O86.132386.073164942pentan-2-one2-pentanone107-87-9CCCC(C)=OInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3XNLICIUVMPYHGG-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.KetonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundHydrocarbon derivativeKetoneOrganic oxideOxygenated hydrocarbonsOxygenated hydrocarbonsa small moleculemethyl ketonepentanoneLiquidlogp0.87logs-0.47solubility2.95e+01 g/lmelting_point-76.9 oClogp1.25pka_strongest_acidic19.65pka_strongest_basic-7.3iupacpentan-2-oneaverage_mass86.1323mono_mass86.073164942smilesCCCC(C)=OformulaC5H10OinchiInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3inchikeyXNLICIUVMPYHGG-UHFFFAOYSA-Npolar_surface_area17.07refractivity25.42polarizability10.26rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1631Specdb::CMs5675Specdb::CMs26806Specdb::CMs27134Specdb::CMs28318Specdb::CMs29629Specdb::CMs101568Specdb::CMs101569Specdb::CMs101570Specdb::CMs101571Specdb::CMs130589Specdb::CMs138323Specdb::MsIr6501Specdb::MsIr6502Specdb::MsMs16133Specdb::MsMs16134Specdb::MsMs16135Specdb::MsMs2418031Specdb::MsMs2418032Specdb::MsMs2418033Specdb::MsMs9461Specdb::MsMs9462Specdb::MsMs9463Specdb::MsMs2548228Specdb::MsMs2548229Specdb::MsMs2548230Specdb::NmrOneD3782Specdb::NmrOneD4041Specdb::NmrOneD125078Specdb::NmrOneD125079Specdb::NmrOneD125080Specdb::NmrOneD125081Specdb::NmrOneD125082Specdb::NmrOneD125083Specdb::NmrOneD125084Specdb::NmrOneD125085Specdb::NmrOneD125086Specdb::NmrOneD125087Specdb::NmrOneD125088Specdb::NmrOneD125089Specdb::NmrOneD125090Specdb::NmrOneD125091Specdb::NmrOneD125092Specdb::NmrOneD125093Specdb::NmrOneD125094Specdb::NmrOneD125095Specdb::NmrOneD125096Specdb::NmrOneD125097HMDB3423516472PNH#<Reference:0x0000555675c09bc8>AppleType 1specificMalus pumila283210AsparagusType 1specificAsparagus officinalis4686BananaType 1specificMusa acuminata4641BeerType 2specific0.020.020.02mg/100 gBlackberryType 1specificRubusCarrotType 1specificDaucus carota ssp. sativus792000.00.00.0mg/100 gCornType 1specificZea mays4577Evergreen blackberryType 1specificRubus laciniatusFats and oilsUnknowngenericFruitsUnknowngenericMilk (Cow)Type 2specific0.2885420.710.00981mg/100 gPearType 1specificPyrus communis23211PineappleType 1specificAnanas comosus4615SunflowerType 1specificHelianthus annuus4232alcoholbananaetheretherealfishyfruitfruitypotatosweetwinewoody