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2,6-Dimethyl-4-heptanone

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2,6-Dimethyl-4-heptanone Basic information
2,6-Dimethyl-4-heptanone Chemical Properties
  • Melting point:-46 °C
  • Boiling point:165-170 °C(lit.)
  • Density 0.808 g/mL at 25 °C(lit.)
  • vapor density 4.9 (vs air)
  • vapor pressure 1.7 mm Hg ( 20 °C)
  • FEMA 3537 | 2,6-DIMETHYL-4-HEPTANONE
  • refractive index n20/D 1.412(lit.)
  • Flash point:120 °F
  • storage temp. Flammables area
  • solubility Miscible with ethanol, ether, carbon tetrachloride, chloroform, benzene and most organic liquids.
  • form Liquid
  • Specific Gravity0.810 (20/4℃)
  • color Clear colorless to slightly yellow
  • OdorMild; characteristic ketonic.
  • explosive limit0.8-6.2%, 100°F
  • Water Solubility 0.05 g/100 mL
  • JECFA Number302
  • BRN 1743163
  • Henry's Law Constant6.36(x 10-4 atm?m3/mol) at 20 °C (approximate - calculated from water solubility and vapor pressure)
  • Exposure limitsTLV-TWA 150 mg/m3 (25 ppm); IDLH 1000 ppm.
  • Stability:Stable. Flammable. Incompatible with strong oxidizing agents.
  • CAS DataBase Reference108-83-8(CAS DataBase Reference)
  • NIST Chemistry Reference4-Heptanone, 2,6-dimethyl-(108-83-8)
  • EPA Substance Registry SystemDiisobutyl ketone (108-83-8)
Safety Information
  • Hazard Codes Xi
  • Risk Statements 10-37
  • Safety Statements 24
  • RIDADR UN 1157 3/PG 3
  • WGK Germany 1
  • RTECS MJ5775000
  • Autoignition Temperature745 °F
  • TSCA Yes
  • HazardClass 3
  • PackingGroup III
  • HS Code 29141990
  • Hazardous Substances Data108-83-8(Hazardous Substances Data)
  • ToxicityLD50 orally in Rabbit: 5750 mg/kg LD50 dermal Rabbit 16000 mg/kg
MSDS
2,6-Dimethyl-4-heptanone Usage And Synthesis
  • Description2, 6-Dimethyl-4-heptanone, also known as diisobutyl ketone, belongs to the family of ketones, being a flavoring ingredient. It can also be used as the extraction solvent for the determination of ten trace metals (V, Cr, Fe, Co, Ni, Cu, Zn, Mo, Cd, Pb) in aqueous samples with plasma atomic emission spectrometry. Similar logic can also be applied to the measurement of phosphorus using 2, 6-dimethyl-4-heptanone as the extraction agent. It is also an important organic solvent widely used as industrial intermediates.
  • Chemical Propertiescolourless liquid
  • Physical propertiesClear, colorless liquid with a mild, sweet, ether-like odor. Odor threshold concentration is 0.11 ppm (quoted, Amoore and Hautala, 1983).
  • OccurrenceReported found in baked potato and wheaten bread.
  • UsesDiisobutyl ketone is used as a solvent fornitrocellulose, lacquers, and synthetic resins;in organic syntheses.
  • UsesDiisobutyl ketone (DIBK) is a transparent liquid with a distinct odor and a high boiling point. It is an heavy-end byproduct of producing MIBK. DIBK is used in many applications such as nitrocellulose lacquers, synthetic resins, coatings and stains, paint strippers, leather finishings, adhesives, printing and coating inks, cleaning and dregreasing, Flavors and fragrances, solvent and re-crystallization aid for pharmaceuticals, mining, and as a chemical intermediate. DIBK has good activity for many synthetic resins including nitrocellulose, rosin esters, phenolics, hydrocarbons, alkyds, polyesters, and acrylics. It is useful as a retarder solvent to improve flow and minimize humidity blushing. The low density and low surface tension of DIBK enables formulators to develop high-solids coatings with low VOC content and excellent flow and leveling properties. DIBK has excellent viscosity reduction for and reduces surface tension in high solid’s coatings. It has good volume-to-weight advantage over other classes of solvents used in coatings. It is a non-HAP (Hazardous Air Pollutant) solvent.
  • UsesDiisobutyl Ketone is a component of mint oil and L-carvone solutions for fungicidal and antigerminative treatment of bulbs and tubers.
  • Production MethodsDiisobutyl ketone is produced by hydrogenation of phorone or by metal-catalyzed decomposition of isovaleric acid.It is also a by-product in the manufacture of methyl isobutyl ketone.
  • General DescriptionA clear colorless liquid. Flash point 140°F. Less dense than water and insoluble in water. Vapors heavier than air.
  • Air & Water ReactionsFlammable. Insoluble in water.
  • Reactivity Profile2,6-Dimethyl-4-heptanone may attack some plastics. 2,6-Dimethyl-4-heptanone reacts with oxidizers.
  • Health HazardInhalation of vapor causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Vaporirritates eyes. Contact with liquid irritates skin.
  • Health HazardInhalation of the vapors of diisobutyl ketonecan produce irritation of the eyes, nose, andthroat. At 25 ppm its odor was unpleasant, but the irritation effect on humanswas insignificant. At 50 ppm the irritationwas mild. A 7- hour exposure to 125 ppmhad no adverse effect on rats; however, at250 ppm, female rats developed increasedliver and kidney weights. An 8-hour exposure to 2000 ppm was lethal. Ingestion ofthis compound can cause the symptoms ofheadache, dizziness, and dermatitis.
    LD50 value, oral (rats): 5.8 g/kg.
  • Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: May attack some forms of plastics; 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 inhalation. Mddly toxic by skin contact. Human systemic effects by inhalation: headache, nausea or vomiting, and unspecified eye effects. An eye and skin irritant. Narcotic in high concentrations. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use Con, dry chemical, water spray, mist or fog. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
  • Environmental FateBiological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM diisobutyl ketone) and ThOD were 4.86 and 37.4%, respectively (Vaishnav et al., 1987).
    Chemical/Physical. Diisobutyl ketone will not hydrolyze because it has no hydrolyzable functional group.
    At an influent concentration of 300 mg/L, treatment with GAC resulted in nondetectable concentrations in the effluent. The adsorbability of the carbon used was 60 mg/g carbon (Guisti et al., 1974).
  • Waste DisposalIncineration, molten metal salt destruction.
  • ReferencesBone, K. M., and W. D. Hibbert. "Solvent extraction with ammonium pyrrolidinedithiocarbamate and 2,6-dimethyl-4-heptanone for the determination of trace metals in effluents and natural waters." Analytica Chimica Acta 107.JUN(1979):219-229.
    Miyazaki, Akira, A. Kimura, and Y. Umezaki. "Determination of ng ml-1 levels of phosphorus in waters by diisobutyl ketone extraction and inductively coupled plasma atomic emission spectrometry." Analytica Chimica Acta 127.96(1981):93-101.
    Zhang, Fagen, et al. "Comparative metabolism and pharmacokinetics of diisobutyl ketone and diisobutyl carbinol in male SD rats." Toxicology Letters 232.1(2015):175-181.
2,6-Dimethyl-4-heptanone Preparation Products And Raw materials
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