1.0 2010-04-08 22:07:55 UTC 2025-11-18 23:06:55 UTC FDB008104 Diacetone alcohol Diacetone 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)CH3 2-Hydroxy-2-methyl-4-pentanone 2-Methyl-2-pentanol-4-one 2-Methyl-3-pentanol-4-one 2-Pentanone, 4-hydroxy-4-methyl- 4-Hydroxy-2-keto-4-methylpentane 4-Hydroxy-4-methyl pentan-2-one 4-Hydroxy-4-methyl-2-pentanone 4-Hydroxy-4-methyl-pentan-2-on 4-Hydroxy-4-methylpentan-2-one 4-Hydroxy-4-methylpentanone 4-Hydroxy-4-methylpentanone-2 4-Idrossi-4-metil-pentan-2-one 4-Methyl-2-pentanon-4-ol 4-Methyl-4-hydroxy-2-pentanone Acetonyldimethylcarbinol Diacetonalcohol Diacetonalcool Diacetonalkohol Diacetonalkohol(german) Diacetone Diacetone alcohol Diacetone alcohol [UN1148] [Flammable liquid] Diacetone-alcool Diacetonealcool Diacetonyl alcohol Diketone alcohol Dimethyl acetonyl carbinol Hydroxy-4-methyl-2-pentanone Pyranton Pyranton A Pyraton Tyranton C6H12O2 116.1583 116.083729628 4-hydroxy-4-methylpentan-2-one diacetone alcohol 123-42-2 CC(=O)CC(C)(C)O InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 SWXVUIWOUIDPGS-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 ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy ketone Hydrocarbon derivative Organic oxide Tertiary alcohol Oxygenated hydrocarbons beta-hydroxy ketone logp 0.04 ALOGPS logs 0.10 ALOGPS solubility 1.45e+02 g/l ALOGPS melting_point Mp -44° logp 0.22 ChemAxon pka_strongest_acidic 15.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 4-hydroxy-4-methylpentan-2-one ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CC(=O)CC(C)(C)O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 ChemAxon inchikey SWXVUIWOUIDPGS-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 31.65 ChemAxon polarizability 12.76 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4552 Specdb::MsIr 4553 Specdb::MsIr 4554 Specdb::CMs 19443 Specdb::CMs 29181 Specdb::CMs 42511 Specdb::CMs 100824 Specdb::CMs 135097 Specdb::CMs 142831 Specdb::MsMs 73698 Specdb::MsMs 73699 Specdb::MsMs 73700 Specdb::MsMs 132924 Specdb::MsMs 132925 Specdb::MsMs 132926 Specdb::MsMs 1470837 Specdb::MsMs 1470855 Specdb::MsMs 1471156 Specdb::MsMs 2253471 Specdb::MsMs 2734034 Specdb::MsMs 2734035 Specdb::MsMs 2734036 Specdb::MsMs 2971860 Specdb::MsMs 2971861 Specdb::MsMs 2971862 HMDB31511 #<Reference:0x000055ce32dbf3c0> Fruits Unknown generic Milk (Cow) Type 2 specific 0.248532 0.66 0.000443 mg/100 g Mung bean Type 1 specific Vigna radiata 157791 Papaya Type 1 specific Carica papaya 3649 Soy bean Type 1 specific Glycine max 3847