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Diacetone Alcohol

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Diacetone Alcohol Basic information
Diacetone Alcohol Chemical Properties
  • Melting point:-42.8 °C
  • Boiling point:166 °C(lit.)
  • Density 0.938 g/mL at 20 °C
  • vapor density 4 (vs air)
  • vapor pressure <1 mm Hg ( 20 °C)
  • refractive index n20/D 1.423(lit.)
  • Flash point:132 °F
  • storage temp. Store below +30°C.
  • solubility Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such as acetone and 2-butanone.
  • pka14.57±0.29(Predicted)
  • form Liquid
  • color Clear colorless
  • OdorMild, pleasant.
  • explosive limit1.8-6.9%(V)
  • Water Solubility MISCIBLE
  • λmax249nm(lit.)
  • Merck 14,2964
  • BRN 1740440
  • Exposure limitsTLV-TWA 240 mg/m3 (50 ppm) (ACGIH); IDLH 2100 ppm (NIOSH).
  • Stability:Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
  • CAS DataBase Reference123-42-2(CAS DataBase Reference)
  • NIST Chemistry Reference4-Hydroxy-4-methylpentan-2-one(123-42-2)
  • EPA Substance Registry System4-Hydroxy-4-methyl-2-pentanone (123-42-2)
Safety Information
  • Hazard Codes Xi
  • Risk Statements 36-R36
  • Safety Statements 24/25-S24/25
  • RIDADR UN 1148 3/PG 3
  • WGK Germany 1
  • RTECS SA9100000
  • 9
  • Autoignition Temperature640 °C
  • TSCA Yes
  • HS Code 2914 40 10
  • HazardClass 3
  • PackingGroup III
  • Hazardous Substances Data123-42-2(Hazardous Substances Data)
  • ToxicityLD50 orally in rats: 4.0 g/kg (Smyth)
MSDS
Diacetone Alcohol Usage And Synthesis
  • ApplicationDiacetone alcohol is available in two grades: a commercial grade containing 15% acetone and an acetone-free grade. Both solvent grades of diacetone alcohol may acquire a yellow color on aging; both are good solvents for nitrocellulose, cellulose esters, and several other types of resins. The much slower evaporating diacetone alcohol is similar to acetone in its solvency. It is used in brushing-type cellulose ester lacquers to produce hard and brilliant gloss films. Diacetone alcohol is also used as lacquer thinner and in coating compositions for paper and textiles. Mesityl oxide, the unsaturated medium boiling point ketone that is prepared by the dehydration of diacetone alcohol, will darken and form a solid residue on aging.
  • Chemical Propertiescolourless liquid
  • Chemical PropertiesDiacetone alcohol is a colorless liquid. Mild, mint odor.
  • Physical propertiesClear, watery, flammable liquid with a mild, pleasant, characteristic odor similar to 2-butanone or the pentanones. Experimentally determined detection and recognition odor threshold concentrations were 1.3 mg/m3 (270 ppbv) and 5.2 mg/m3 (1.1 ppmv), respectively (Hellman and Small, 1974).
  • UsesSolvent for cellulose acetate, nitrocellulose, celluloid, fats, oils, waxes, resins. As a preservative in pharmaceutical preparations. In some antifreeze solutions and in hydraulic fluids.
  • UsesSolvent for pigments, cellulose, resins, oils, fats, and hydrocarbons; hydraulic brake fluid; antifreeze
  • Uses4-Hydroxy-4-methyl-2-pentanone is used asa solvent for nitrocellulose, cellulose acetate,resins, fats, oils, and waxes; and in hydraulicfluids and antifreeze solutions..
  • Production Methods4-Hydroxy-4-methyl-2-pentanone is manufactured through the action of barium hydroxide, potassium hydroxide, or calcium hydroxide on acetone. Commercial materials may contain up to 15%acetone.
  • DefinitionChEBI: A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.
  • Synthesis Reference(s)Organic Syntheses, Coll. Vol. 1, p. 199, 1941
    Tetrahedron Letters, 16, p. 4027, 1975 DOI: 10.1016/S0040-4039(00)91227-9
  • General DescriptionA clear colorless liquid with a pleasant odor. Flash point below 141°F. Less dense than water. Vapors heavier than air.
  • Air & Water ReactionsHighly flammable. Soluble in water.
  • Reactivity ProfileAcetyl bromide reacts violently with alcohols or water, [Merck 11th ed., 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid, [Chem. Eng. News 45(43):73(1967); J, Org. Chem. 28:1893(1963)]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites, [NFPA 491 M, 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
  • Health HazardVapor is irritating to the mucous membrane of the eye and respiratory tract. Inhalation can cause dizziness, nausea, some anesthesia. Very high concentrations have a narcotic effect. The liquid is not highly irritating to the skin but can cause dermatitis.
  • Health Hazard4-Hydroxy-4-methyl-2-pentanone is a mildirritant and a strong narcotic. It can causeirritation in the eyes, nose, throat, and skin.The effect on humans, however, is mild at100 ppm concentration.
    Animal experiments indicated that it couldproduce sleep after a period of restlessnessand excitement. The symptoms of its toxicity are a marked decrease in breathing andblood pressure, and relaxation of the muscles. Ingestion of this compound in highdoses can damage corneal tissue and liver.The oral toxicity in rats was very low, witha LD50 value of 4000 mg/kg..
  • Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
  • Chemical ReactivityReactivity with Water : No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
  • Safety ProfileModerately toxic by ingestion and intraperitoneal routes. Mddly toxic by skin contact. Human systemic effects by inhalation: headache, nausea or vomiting, eye and pulmonary changes. A skin, mucous membrane, and severe eye irritant. Can cause anemia and damage to liver and hdneys. Narcotic in high concentration. Flammable liquid when exposed to heat or flame; can react with oxidzing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
  • Potential ExposureIt is used as a solvent for pigments, cellulose esters; oils and fats. It is used in hydraulic brake fluids and in antifreeze formulations.
  • CarcinogenicityOccupational exposure to 4-hydroxy-4-methyl-2- pentanone is most likely to be by inhalation and skin contact. It presents a low degree of hazard if good work practices are observed. Appropriate protective clothing and eye protection should be made available as prolonged exposure may defat the skin and cause dermatitis. The occurrence of eye, nose, and throat irritation and a recognizable odor at low concentrations should protect against overexposure to 4-hydroxy-4- methyl-2-pentanone.
  • Environmental FateBiological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM diacetone alcohol) and ThOD were 3.67 and 45.9%, respectively (Vaishnav et al., 1987).
    Photolytic. Grosjean (1997) reported a rate constant of 4.0 x 10-12 cm3/molecule?sec at 298 K for the reaction of OH radicals in the atmosphere. Based on a OH concentration of 1.0 x 106 molecule/cm3, the reported half-life of diacetone alcohol is 2.0 d (Grosjean, 1997).
  • ShippingUN1148 Diacetone alcohol, Hazard Class: 3; Labels: 3-Flammable liquid.
  • Purification MethodsThe pentanone loses water when heated. It can be dried with CaSO4, then fractionally distilled under reduced pressure. [Beilstein 1 IV 403.]
  • IncompatibilitiesVapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, perox- ides, permanganates, perchlorates, chlorine, bromine, fluo- rine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides.
  • Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinera- tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Diacetone Alcohol Preparation Products And Raw materials
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