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2,6-Dimethyl-4-heptanone

2,6-Dimethyl-4-heptanone Structure
CAS No.
108-83-8
Chemical Name:
2,6-Dimethyl-4-heptanone
Synonyms
DIBK;DIISOBUTYL KETONE;ISOBUTYL KETONE;2,6-Dimethylheptan-4-one;VALERONE;FEMA 3537;NSC 15136;isovaleron;NSC 406913;ISOVALERONE
CBNumber:
CB8852764
Molecular Formula:
C9H18O
Molecular Weight:
142.24
MOL File:
108-83-8.mol
Modify Date:
2024/6/7 15:28:52

2,6-Dimethyl-4-heptanone 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
Flash point 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 Sweet Pineapple-Banana-like fruity taste, but with a somewhat harsh chemical note.
Odor Type green
explosive limit 0.8-6.2%, 100°F
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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H335
Precautionary statements  P210-P233-P240-P241-P242-P243
Hazard Codes  Xi
Risk Statements  10-37
Safety Statements  24
OEB A
OEL TWA: 25 ppm (150 mg/m3)
RIDADR  UN 1157 3/PG 3
WGK Germany  1
RTECS  MJ5775000
Autoignition Temperature 745 °F
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29141990
Toxicity LD50 orally in Rabbit: 5750 mg/kg LD50 dermal Rabbit 16000 mg/kg
IDLA 500 ppm
NFPA 704
2
1 0

2,6-Dimethyl-4-heptanone price More Price(12)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) W353701 2,6-Dimethyl-4-heptanone ≥99% 108-83-8 1SAMPLE ₹5141.88 2022-06-14 Buy
Sigma-Aldrich(India) W353701 2,6-Dimethyl-4-heptanone ≥99% 108-83-8 200G ₹83276.73 2022-06-14 Buy
Sigma-Aldrich(India) W353701 2,6-Dimethyl-4-heptanone ≥99% 108-83-8 1KG ₹349214.5 2022-06-14 Buy
Sigma-Aldrich(India) 8.18831 Diisobutyl ketone for synthesis 108-83-8 100ML ₹2880 2022-06-14 Buy
Sigma-Aldrich(India) 537691 2,6-Dimethyl-4-heptanone technical grade 108-83-8 1L ₹3918.65 2022-06-14 Buy
Product number Packaging Price Buy
W353701 1SAMPLE ₹5141.88 Buy
W353701 200G ₹83276.73 Buy
W353701 1KG ₹349214.5 Buy
8.18831 100ML ₹2880 Buy
537691 1L ₹3918.65 Buy

2,6-Dimethyl-4-heptanone Chemical Properties,Uses,Production

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

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.

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.

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.

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.

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).

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.

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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% isovaleron VALERONE S-DIISOPROPYLACETONE 2,6-dimetil-eptan-4-one (italian) 2,6-DIMETHYL-4-HEPTANONE,98+% 2,6-DIMETHYL-4-HEPTANONE, MIXTURE OF ISOMERS, 98%, CA 2:1 WI 2,6-Dimethyl-4-heptanone, mixture of isomers, 98%, ca 2:1 with 4,6-dimethyl-2-heptanone 2,6-DIMETHYL-4-HEPTANONE, PURE 2,6-dimethylheptan-4-one di-isobutyl ketone Di Isobutyl Ketone (DIBK) DIBK, Diisobutyl ketone, Isovalerone ISOVALERONE FEMA 3537 (iso-C4H9)2CO 2,5-Dimethyl-4-heptanone 2,6-dimethyl-4-heptanon 2,6-dimethyl-4-heptanone (diisobutyl ketone) 2,6-Dimethyl-heptan-4-on 2,6-Dimethylheptan-4-on 2,6-dimethyl-heptan-4-on(dutch,german) 2,6-dimethyl-heptan-4-one 2,6-Dimetil-eptan-4-one 4-Heptanone,2,6-dimethyl- dibutylketone(non-specificname) Diisobutilchetone DiMethyl-4-heptan 2,6-Dimethyi-4-heptanone Diisobutyl ketone for synthesis 2,6-Dimethyl-4-heptanone, (sum of 2,6-Dimethyl-4-heptanone & 4,6-Dimethyl-2-heptanone) diisobutylcetone Di-isobutylcetone di-isobutylcetone(french) Diisobutylketon diisobutylketon(dutch,german) Diisopropylacetone sec-diisopropylacetone sym-Diisopropylacetone 2,6-Dimethyl-4-heptanone technical grade 2,6-Dimethyl-4-heptanone, 80%, remainder mainly 4,6-dimethyl-2-heptanone, tech. Diisobutyl ketone, extra pure 2,6-Dimethyl-4-heptanone,Diisobutyl ketone, Isovalerone 2,6-2-4-heptanone 2,6-DiMethyl-4-heptanone, >90% (suM of 2,6-DiMethyl-4-heptanone & 4,6-DiMethyl-4-heptanone) 2,6-DiMethyl-4-heptanone, >90% (suM of 2,6-DiMethyl-4-heptanone & 4,6-DiMethyl-2-heptanone) 2,6-Dimethyl-4-heptanone, mixture of isomers, 97%, ca 2:1 with 4,6-dimethyl-2-heptanone NSC 15136 NSC 406913 2,6-Dimethyl-4-Heptanone (Dibk ) 2,6-Dimethyl-4-heptanone(DIBK)Solution,2000mg/L,1ml 2,6-Dimethyl-4-heptanone(DIBK)Solution,1000mg/L,1ml