1.02010-04-08 22:07:55 UTC2020-09-17 15:35:02 UTCFDB008104Diacetone alcoholDiacetone alcohol, sometimes referred to as DAA, belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group. Diacetone alcohol is an organic compound with the chemical formula CH3C(O)CH2C(OH)(CH3)2. Diacetone alcohol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is a colorless liquid, used as a solvent and a common synthetic intermediate used for the preparation of other compounds. Diacetone alcohol is found in the highest concentration in cow milk but it has also been detected, not quantified, in several different foods, such as fruits, mung beans, papaya, and soybeans. Diacetone alcohol is commercially used in cellulose ester lacquers, particularly of the brushing type, where it produces brilliant gloss and a hard film and where its lack of odor is desirable. It is used in lacquer thinners, dopes, wood stains, wood preservatives and printing pastes, in coating compositions for paper and textiles, permanent markers, in making artificial silk and leather, in imitation gold leaf, in celluloid cements, as a preservative for animal tissue, in metal cleaning compounds, in the manufacture of photographic film, and in hydraulic brake fluids, where it is usually mixed with an equal volume of castor oil.(CH3)2C(OH)CH2C(O)CH32-Hydroxy-2-methyl-4-pentanone2-Methyl-2-pentanol-4-one2-Methyl-3-pentanol-4-one2-Pentanone, 4-hydroxy-4-methyl-4-Hydroxy-2-keto-4-methylpentane4-Hydroxy-4-methyl pentan-2-one4-Hydroxy-4-methyl-2-pentanone4-Hydroxy-4-methyl-pentan-2-on4-Hydroxy-4-methylpentan-2-one4-Hydroxy-4-methylpentanone4-Hydroxy-4-methylpentanone-24-Idrossi-4-metil-pentan-2-one4-Methyl-2-pentanon-4-ol4-Methyl-4-hydroxy-2-pentanoneAcetonyldimethylcarbinolDiacetonalcoholDiacetonalcoolDiacetonalkoholDiacetonalkohol(german)DiacetoneDiacetone alcoholDiacetone alcohol [UN1148] [Flammable liquid]Diacetone-alcoolDiacetonealcoolDiacetonyl alcoholDiketone alcoholDimethyl acetonyl carbinolHydroxy-4-methyl-2-pentanonePyrantonPyranton APyratonTyrantonC6H12O2116.1583116.0837296284-hydroxy-4-methylpentan-2-onediacetone alcohol123-42-2CC(=O)CC(C)(C)OInChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3SWXVUIWOUIDPGS-UHFFFAOYSA-N belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group.Beta-hydroxy ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsHydrocarbon derivativesOrganic oxidesTertiary alcoholsAlcoholAliphatic acyclic compoundBeta-hydroxy ketoneHydrocarbon derivativeOrganic oxideTertiary alcoholOxygenated hydrocarbonsbeta-hydroxy ketonelogp0.04logs0.10solubility1.45e+02 g/lmelting_pointMp -44°logp0.22pka_strongest_acidic15.21pka_strongest_basic-2.7iupac4-hydroxy-4-methylpentan-2-oneaverage_mass116.1583mono_mass116.083729628smilesCC(=O)CC(C)(C)OformulaC6H12O2inchiInChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3inchikeySWXVUIWOUIDPGS-UHFFFAOYSA-Npolar_surface_area37.3refractivity31.65polarizability12.76rotatable_bond_count2acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsIr4552Specdb::MsIr4553Specdb::MsIr4554Specdb::CMs19443Specdb::CMs29181Specdb::CMs42511Specdb::CMs100824Specdb::CMs135097Specdb::CMs142831Specdb::MsMs73698Specdb::MsMs73699Specdb::MsMs73700Specdb::MsMs132924Specdb::MsMs132925Specdb::MsMs132926Specdb::MsMs1470837Specdb::MsMs1470855Specdb::MsMs1471156Specdb::MsMs2253471Specdb::MsMs2734034Specdb::MsMs2734035Specdb::MsMs2734036Specdb::MsMs2971860Specdb::MsMs2971861Specdb::MsMs2971862HMDB31511#<Reference:0x0000555675118110>FruitsUnknowngenericMilk (Cow)Type 2specific0.2485320.660.000443mg/100 gMung beanType 1specificVigna radiata157791PapayaType 1specificCarica papaya3649Soy beanType 1specificGlycine max3847