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| | 2,6-Dimethyl-4-heptanone Basic information |
| Product Name: | 2,6-Dimethyl-4-heptanone | | Synonyms: | 2,6-DIMETHYL-4-HEPTANONE;2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone;Diisobutyl ketone~Isovalerone;Dimethylheptanone;2 6-DIMETHYL-4-HEPTANONE 99+%;2,6-DIMETHYL-4-HEPTANONE, TECH., 80%;2,6-Dimethyl-4-Heptanone,Purified;2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone, tech., 80% | | CAS: | 108-83-8 | | MF: | C9H18O | | MW: | 142.24 | | EINECS: | 203-620-1 | | Product Categories: | | | Mol File: | 108-83-8.mol |  |
| | 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) | | refractive index | n20/D 1.412(lit.) | | FEMA | 3537 | 2,6-DIMETHYL-4-HEPTANONE | | Fp | 120 °F | | storage temp. | Store below +30°C. | | solubility | Miscible with ethanol, ether, carbon tetrachloride, chloroform, benzene and most organic liquids. | | form | Liquid | | Specific Gravity | 0.810 (20/4℃) | | color | Clear colorless to slightly yellow | | Odor | Mild; characteristic ketonic. | | explosive limit | 0.8-6.2%, 100°F | | Odor Type | green | | Water Solubility | 0.05 g/100 mL | | JECFA Number | 302 | | BRN | 1743163 | | Henry's Law Constant | 6.36(x 10-4 atm?m3/mol) at 20 °C (approximate - calculated from water solubility and vapor pressure) | | Exposure limits | TLV-TWA 150 mg/m3 (25 ppm); IDLH
1000 ppm. | | Dielectric constant | 9.9100000000000001 | | Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. | | LogP | 3.71 at 20℃ | | CAS DataBase Reference | 108-83-8(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Heptanone, 2,6-dimethyl-(108-83-8) | | EPA Substance Registry System | Diisobutyl ketone (108-83-8) |
| Hazard Codes | Xi | | Risk Statements | 10-37 | | Safety Statements | 24 | | RIDADR | UN 1157 3/PG 3 | | WGK Germany | 1 | | RTECS | MJ5775000 | | Autoignition Temperature | 745 °F | | TSCA | Yes | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29141990 | | Hazardous Substances Data | 108-83-8(Hazardous Substances Data) | | Toxicity | LD50 orally in Rabbit: 5750 mg/kg LD50 dermal Rabbit 16000 mg/kg | | IDLA | 500 ppm |
| | 2,6-Dimethyl-4-heptanone Usage And Synthesis |
| Description | 2, 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 Properties | 5-Methyl-3-heptanone is a colorless liquid with low solubility in water
(0.3 wt %); water is poorly soluble in the ketone
(0.9 wt %). 5-Methyl-3-heptanone is highly soluble in common organic solvents. | | Physical properties | Clear, colorless liquid with a mild, sweet, ether-like odor. Odor threshold concentration is 0.11
ppm (quoted, Amoore and Hautala, 1983). | | Occurrence | Reported found in baked potato and wheaten bread. | | Uses | Diisobutyl ketone is used as a solvent fornitrocellulose, lacquers, and synthetic resins;in organic syntheses. | | Uses | 2,6-Dimethyl-4-heptanone is used as a coating solvent. It is an active component of mint oil. It acts as a dispersant for organosol type resins. It is involved in the antigerminative treatment of bulbs and tubers. Further, it is used as a solvent for nitrocellulose. In addition to this, it acts as an intermediate in the preparation of inhibitors, active pharmaceutical ingredients and dyes. | | Uses | Diisobutyl 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. | | Uses | Diisobutyl Ketone is a component of mint oil and L-carvone solutions for fungicidal and antigerminative treatment of bulbs and tubers. | | Definition | ChEBI: 2-Methyl-4-heptanone is a ketone. | | Production Methods | Diisobutyl 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. | | Synthesis Reference(s) | Journal of the American Chemical Society, 95, p. 6876, 1973 DOI: 10.1021/ja00801a081 | | General Description | A clear colorless liquid. Flash point 140°F. Less dense than water and insoluble in water. Vapors heavier than air. | | Air & Water Reactions | Flammable. Insoluble in water. | | Reactivity Profile | 2,6-Dimethyl-4-heptanone may attack some plastics. 2,6-Dimethyl-4-heptanone reacts with oxidizers. | | Health Hazard | Inhalation of vapor causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Vaporirritates eyes. Contact with liquid irritates skin. | | Health Hazard | Inhalation 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. | | Flammability and Explosibility | Not classified | | Chemical Reactivity | Reactivity 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 Profile | Moderately 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. | | Potential Exposure | Human Data;Primary Irritant. Diisobutyl ketone is used as a solvent; as a dispersant for resins; and as an intermediate in the synthesisof pharmaceuticals and pesticides. | | First aid | If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the | | Environmental fate | Biological. 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). | | storage | Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials. Prior to working with DIBK you should be trained on itsproper handling and storage. Before entering confined spacewhere DIBK may be present, check to make sure that anexplosive concentration does not exist. Store in tightlyclosed containers in a cool, well-ventilated area. Metal containers involving the transfer of this chemical should begrounded and bonded. Where possible, automatically pumpliquid from drums or other storage containers to processcontainers. Drums must be equipped with self-closingvalves, pressure vacuum bungs, and flame arresters. Useonly nonsparking tools and equipment, especially whenopening and closing containers of this chemical. Sources ofignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard.Wherever this chemical is used, handled, manufactured, orstored, use explosion-proof electrical equipment andfittings. | | Shipping | This compound requires a shipping label of“FLAMMABLE LIQUID.” It falls in Hazard Class 3 andPacking Group II. | | Incompatibilities | Forms explosive mixture with air.Incompatible with strong acids, aliphatic amines, strongoxidizers. Attacks some forms of plastics, coatings, andrubber. | | Waste Disposal | Incineration, molten metal salt destruction. | | References | Bone, 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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