2,6-Dimethylheptan-4-on

Bezeichnung:2,6-Dimethylheptan-4-on

CAS-Nr108-83-8

Englisch Name:2,6-Dimethyl-4-heptanone

CBNumberCB8852764

SummenformelC9H18O

Molgewicht142.24

MOL-Datei108-83-8.mol

Synonyma

2,6-Dimethylheptan-4-on

2,6-Dimethyl-4-heptanon

Isovalerone

2,6-Dimethylheptan-4-on physikalisch-chemischer Eigenschaften

Schmelzpunkt	-46 °C
Siedepunkt	165-170 °C(lit.)
Dichte	0.808 g/mL at 25 °C(lit.)
Dampfdichte	4.9 (vs air)
Dampfdruck	1.7 mm Hg ( 20 °C)
FEMA	3537 \| 2,6-DIMETHYL-4-HEPTANONE
Brechungsindex	n20/D 1.412(lit.)
Flammpunkt	120 °F
storage temp.	Store below +30°C.
Löslichkeit	Miscible with ethanol, ether, carbon tetrachloride, chloroform, benzene and most organic liquids.
Aggregatzustand	Liquid
Wichte	0.810 (20/4℃)
Farbe	Clear colorless to slightly yellow
Geruch (Odor)	Sweet Pineapple-Banana-like fruity taste, but with a somewhat harsh chemical note.
Geruchsart	green
Explosionsgrenze	0.8-6.2%, 100°F
Wasserlöslichkeit	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)
Expositionsgrenzwerte	TLV-TWA 150 mg/m³ (25 ppm); IDLH 1000 ppm.
Dielectric constant	9.9100000000000001
Stabilität	Stable. Flammable. Incompatible with strong oxidizing agents.
LogP	3.71 at 20℃
CAS Datenbank	108-83-8(CAS DataBase Reference)
NIST chemische Informationen	4-Heptanone, 2,6-dimethyl-(108-83-8)
EPA chemische Informationen	Diisobutyl ketone (108-83-8)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	10-37
S-Sätze:	24
RIDADR	UN 1157 3/PG 3
OEB	A
OEL	TWA: 25 ppm (150 mg/m3)
WGK Germany	1
RTECS-Nr.	MJ5775000
Selbstentzündungstemperatur	745 °F
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29141990
Giftige Stoffe Daten	108-83-8(Hazardous Substances Data)
Toxizität	LD50 orally in Rabbit: 5750 mg/kg LD50 dermal Rabbit 16000 mg/kg
IDLA	500 ppm

Gefahreninformationscode (GHS)

2,6-Dimethyl-4-heptanone Chemische Eigenschaften,Einsatz,Produktion Methoden

ERSCHEINUNGSBILD
FARBLOSE FLüSSIGKEIT MIT CHARAKTERISTISCHEM GERUCH.
CHEMISCHE GEFAHREN
Reagiert mit Oxidationsmitteln. Greift einige Kunststoffarten an.
ARBEITSPLATZGRENZWERTE
TLV: 25 ppm (als TWA) (ACGIH 2005).
MAK: IIb (nicht festgelegt, aber Informationen vorhanden) (DFG 2005).
AUFNAHMEWEGE
Aufnahme in den Körper durch Inhalation der Dämpfe und durch Verschlucken.
INHALATIONSGEFAHREN
Beim Verdampfen bei 20°C tritt langsam eine gesundheitsschädliche Kontamination der Luft ein.
WIRKUNGEN BEI KURZZEITEXPOSITION
WIRKUNGEN BEI KURZZEITEXPOSITION:
Die Substanz reizt die Augen, die Haut und die Atemwege. Exposition gegenüber hohen Konzentrationen kann Bewusstseinstrübung verursachen.
WIRKUNGEN NACH WIEDERHOLTER ODER LANGZEITEXPOSITION
Wiederholter oder andauernder Hautkontakt kann Dermatitis hervorrufen.
LECKAGE
Belüftung. Ausgelaufene Flüssigkeit möglichst in abdichtbaren Behältern sammeln. Reste mit Sand oder inertem Absorptionsmittel aufnehmen und an einen sicheren Ort bringen. Persönliche Schutzausrüstung: Atemschutzgerät, A/P2-Filter für organische Dämpfe und schädlichen Staub.
R-Sätze Betriebsanweisung:
R10:Entzündlich.
R37:Reizt die Atmungsorgane.
S-Sätze Betriebsanweisung:
S24:Berührung mit der Haut vermeiden.
Beschreibung
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.
Chemische Eigenschaften
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.
Physikalische Eigenschaften
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.
Verwenden
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.
Verwenden
Diisobutyl Ketone is a component of mint oil and L-carvone solutions for fungicidal and antigerminative treatment of bulbs and tubers.
Verwenden
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.
Verwenden
Diisobutyl ketone is used as a solvent fornitrocellulose, lacquers, and synthetic resins;in organic syntheses.
Vorbereitung Methode
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.
Definition
ChEBI: 2-Methyl-4-heptanone is a ketone.
Synthesis Reference(s)
Journal of the American Chemical Society, 95, p. 6876, 1973 DOI: 10.1021/ja00801a081
Allgemeine Beschreibung
A clear colorless liquid. Flash point 140°F. Less dense than water and insoluble in water. Vapors heavier than air.
Air & Water Reaktionen
Flammable. Insoluble in water.
Reaktivität anzeigen
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
Chemische Reaktivität
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.
Sicherheitsprofil
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.
mögliche Exposition
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.
Erste Hilfe
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).
Lager
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.
Versand/Shipping
This compound requires a shipping label of“FLAMMABLE LIQUID.” It falls in Hazard Class 3 andPacking Group II.
Inkompatibilitäten
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.
Einzelnachweise
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 Upstream-Materialien And Downstream Produkte

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