1.02010-04-08 22:07:57 UTC2019-11-26 03:02:12 UTCFDB0081724-Methyl-2,3-pentanedione4-Methyl-2,3-pentanedione is a flavouring ingredient. It is found in many foods, some of which are alcoholic beverages, coffee and coffee products, crustaceans, and cereals and cereal products.2,3-Pentanedione, 4-methyl-4-methylpentane-2,3-dioneAcetyl isobutyrylAcetylisobutyrylFEMA 2730Isopropyl methyl diketoneIsopropylmethylglyoxalMethyl isopropyl diketoneC6H10O2114.1424114.0680795644-methylpentane-2,3-dione4-methylpentane-2,3-dione7493-58-5CC(C)C(=O)C(C)=OInChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3JENYBWHRLYZSSZ-UHFFFAOYSA-Nlogp0.70logs-0.67solubility2.42e+01 g/llogp1.64pka_strongest_acidic16.21pka_strongest_basic-8.5iupac4-methylpentane-2,3-dioneaverage_mass114.1424mono_mass114.068079564smilesCC(C)C(=O)C(C)=OformulaC6H10O2inchiInChI=1S/C6H10O2/c1-4(2)6(8)5(3)7/h4H,1-3H3inchikeyJENYBWHRLYZSSZ-UHFFFAOYSA-Npolar_surface_area34.14refractivity30.74polarizability12.15rotatable_bond_count2acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs17137Specdb::CMs163687Specdb::MsIr4628Specdb::MsIr4629Specdb::MsMs6677Specdb::MsMs6678Specdb::MsMs6679Specdb::MsMs13349Specdb::MsMs13350Specdb::MsMs13351Specdb::MsMs2425537Specdb::MsMs2425538Specdb::MsMs2425539Specdb::MsMs2510554Specdb::MsMs2510555Specdb::MsMs2510556HMDB31559#<Reference:0x00005556745f67c8>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443Breakfast cerealType 2specificCereals and cereal productsUnknowngenericCoffee and coffee productsUnknowngenericCrustaceansUnknowngeneric6657Robusta coffeeType 1specificCoffea canephora49390butterycreamyfattyfruitysweet