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Home > Encyclopedia > Isobutyl ketone

Isobutyl ketone

Isobutyl ketone structure

Isobutyl ketone 

structure
  • CAS No:

    108-83-8

  • Formula:

    C9H18O

  • Chemical Name:

    Isobutyl ketone

  • Synonyms:

    4-Heptanone,2,6-dimethyl-;2,6-Dimethyl-4-heptanone;DIBK;Diisobutyl ketone;s-Diisopropylacetone;Isobutyl ketone;Isovalerone;DIBC;NSC 15136;NSC 406913;958635-42-2

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

colourless liquid2, 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 widel


Diisobutyl ketone appears as a clear colorless liquid. Flash point 140°F. Less dense than water and insoluble in water. Vapors heavier than air.|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless, oily liquid with a fruity and sweet or menthol-like odour|Colorless liquid with a mild, sweet odor.


Diisobutyl ketone appears as a clear colorless liquid. Flash point 140°F. Less dense than water and insoluble in water. Vapors heavier than air.|2-Methyl-4-heptanone is a ketone.

Isobutyl ketone Basic Attributes

142.24

142.24

1743163

203-620-1

V52W30H1BU

0713

406913|15136

1157

DTXSID4025080

WATER CLEAR LIQUID|Colorless oil|Colorless liquid

29141990

Characteristics

17.1

2.56 (est)

Clear colorless to slightly yellow Liquid

0.8062 g/cm3 @ Temp: 20 °C

-41.5 °C

168 °C

120 °F

n 20/D 1.412(lit.)

H2O: 0.05 g/100 mL.Miscible with ethanol, ether, carbon tetrachloride, chloroform, benzene and most organic liquids.

Flammables area

1.7 mm Hg ( 20 °C)

4.9 (vs air)

Oral-rat LD50: 5750 mg/kg; Oral-Mouse LD50: 1416 mg/kg

combustible

0.8-6.2%, 100°F

Peppermint odor

2.60e-11 cm3/molecule*sec

Henry's Law constant = 1.17X10-4 atm-cu m/mol at 25 °C (est)

Saturation concentration in air: 9.3 g/cu m at 20 °C; 17 g/cu m at 30 °C|Air pollution factors: 1 mg/cu m = 0.172 ppm, 1 ppm = 5.81 mg/cu m|May attack some forms of plastics|LOW VOLATILITY|For more Other Experimental Properties (Complete) data for DIISOBUTYL KETONE (9 total), please visit the HSDB record page.

Flammable. Insoluble in water.

Ketones

Highly Flammable

DIISOBUTYL KETONE may attack some plastics. It reacts with oxidizers. (NTP, 1992)

745 °F (USCG, 1999)|745 °F (396 °C)|396 °C

-16,040 BTU/LB= -8,910 CAL/G= -373X10+5 J/KG

9.04 eV

Lower flammable limit: 0.8% by volume @ 200 °F (93 °C); Upper flammable limit: 7.1% by volume @ 200 °F (93 °C)|Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

121 BTU/LB= 67 CAL/G= 2.8X10+5 J/KG

Safety Information

III

3

UN 1157 3/PG 3

1

10-37

24

MJ5775000

Xi

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Steam and air can be explosive when mixed

Stable. Flammable. Incompatible with strong oxidizing agents.

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, P501

H226

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.|The EPA recommends packaging of product residues and sorbent media in epoxy-lined drums and disposal at an EPA-approved site. The compounds may be destroyed by permanganate oxidation, high temperature incineration with scrubbing equipment, or microwave plasma treatment. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (> or = to 100 kg/mo) must conform with EPA regulations governing storage, transpiration, treatment, and waste disposal.|Diisobutyl ketone is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.|The following wastewater treatment technologies have been investigated for Diisobutyl Ketone: Concentration process - active carbon.|For more Disposal Methods (Complete) data for DIISOBUTYL KETONE (6 total), please visit the HSDB record page.

Reacts with oxidants. Attacks some forms of plastics.|Above 49 °C explosive vapor/air mixtures may be formed.|... can react with oxidizing materials.|Strong oxidizers.

Diisobutyl ketone is an indirect food additive for use only as a component of adhesives.

European Chemicals Bureau; IUCLID Dataset, 2,6-Dimethylheptan-4-one (CAS # 108-83-8) 25 p. Provides a compilation of information submitted to the EU by the European industry as of 2000. Available from the Database Query page at: http://ecb.jrc.it/esis/esis.php as of September 24, 2007.|Organisation for Economic Cooperation and Development; Screening Information Data Set for Diisobutyl ketone, CAS #108-83-8, 75 p. (June 1988). Available from the Database Query page at http://www.inchem.org/pages/sids.html as of October 2, 2007

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY 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. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)|Flammable. Above 49 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree

|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 1312 companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P312, P321, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P261, P271, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Skin: Wear appropriate personal protective clothing to prevent skin contact. Eyes: No recommendation is made specifying the need for eye protection. Wash skin: The worker should immediately wash the skin when it becomes contaminated. Remove: Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|AIR SUPPLIED MASK IN CONFINED AREAS; PLASTIC GLOVES; FACE SHIELD & SAFETY GLASSES.|Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles.|For diisobutyl ketone some data suggesting breakthrough times of approximately an hour or more for nitrile.|For diisobutyl ketone, breakthrough times greater than one hour reported by (normally) two or more testers for polyvinyl alcohol.|For more Personal Protective Equipment (PPE) (Complete) data for DIISOBUTYL KETONE (8 total), please visit the HSDB record page.|(See protection codes)

Flammable liquid when exposed to heat or flame ...

UPPER 6.2% BY VOL @ 212 °F; LOWER 0.8% BY VOL @ 212 °F|Explosive limits , vol% in air: 0.8-6.2 (at 93 °C)

In case of fire: keep drums, etc., cool by spraying with water. AFFF, alcohol-resistant foam, powder, carbon dioxide.|FOAM ... WATER MAY BE INEFFECTIVE|If material on fire or involved in fire: Do not extinquish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.|Combustible. Extinguish with dry chemicals, foam, or carbon dioxide. Water may be ineffective on fire.

Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Ventilate area of spill or leak. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.

/Use/ ventilation, local exhaust, or breathing protection. Do not eat, drink, or smoke during work.|SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock down vapors.|Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.|For more Preventive Measures (Complete) data for DIISOBUTYL KETONE (11 total), please visit the HSDB record page.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY 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. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for DIISOBUTYL KETONE (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

... Eye and skin contact may produce slight to moderate irritation.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 50 ppm (290 mg/cu m).|Vacated 1989 OSHA PEL TWA 25 ppm (150 mg/cu m0 is still enforced in some states.

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 25 ppm (150 mg/cu m).

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Fireproof. Separated from strong oxidants.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract. Exposure to high concentrations could cause lowering of consciousness.

Repeated or prolonged contact with skin may cause dermatitis.

NO open flames, NO sparks and NO smoking. Above 49 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves. Protective clothing.

Wear safety goggles.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

The major hazards encountered in the use and handling of diisobutyl ketone stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless peppermint-smelling oily liquid may occur from its use as a solvent for nitrocellulose, crepe rubber, and vinylite, and as an intermediate in the synthesis of inhibitors, pharmaceuticals, dyes, and insecticides. Effects from exposure may include irritation or contact burns to the skin and eyes, shortness of breath, nausea, headache, dizziness, fainting, coma and death. Both the ACGIH and the final rule for the OSHA PEL have been set at a TWA of 25 ppm. Even though the odor of diisobutyl ketone may provide sufficient warning of its presence, in activities or situations where over-exposure may occur, wear a self-contained breathing apparatus and appropriate chemical protective clothing, including gloves and boots. If contact should occur, immediately flush affected skin or eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. Diisobutyl ketone may be ignited by heat, sparks, or flames. Its heavier than air vapor may travel to a source of ignition and flash back, or result in a build-up of explosive concentrations in enclosed spaces such as sewers. Also, containers may explode in the heat of a fire. Fires involving diisobutyl ketone may be extinguished with dry chemical, CO2, Halon, alcohol foam, and water spray, mist, or fog (solid streams of water may be ineffective). Since diisobutyl ketone fires may produce irritating or poisonous gases, when tank cars or trucks are involved, isolate the area for one half mile in all directions. Fight the fire from as far a distance as possible, and dike runoff from fire control water. Diisobutyl ketone should be stored in cool, well-ventilated place, away from direct sunlight, sources of ignition, and oxidizing materials. Diisobutyl ketone may be shipped via air, rail, road, and water. Small spills of diisobutyl ketone may be taken up with sand or other noncombustible absorbent and placed into containers for later disposal. Large spills should be diked far ahead of the spill for later disposal. Before implementing land disposal of waste diisobutyl ketone, consult with environmental regulatory agencies for guidance.

Diisobutyl ketone has been qualitatively detected in wastewater effluent concentrates collected from an advanced wastewater treatment facility in Pomona, CA in Sept 1974(1).

Toxicity

moderately toxic

The consumer exposure is considered to be low as only very few of the DIBK-containing products are accessible to the consumer. Mean occupational exposure during formulation and use of DIBK-containing products is estimated to be about 16-39 mg/cu m DIBK is not corrosive or sensitizing. Respiratory irritation was observed in humans at concentrations above 50 ppm. The NOAEL for repeated dose following inhalation exposure is in the region of 534 ppm. For reproductive toxicity, no increased risks to offspring were observed in the absence of parental effects. The NOAEL for parental toxicity was determined as 300 mg/kg bw/d and for reproductive effects 1000 mg/kg bw/d. Bacterial mutagenicity tests are negative, as well as a Saccharomyces cerevisiae mitotic gene conversion assay. DIBK does not induce chromosome aberrations in rat liver cells in vitro. ...

LD50 Rat dermal >2000 mg/kg bw|LD50 Rabbit dermal 16200 mg/kg bw|LD50 Rabbit subcutaneous > 20 mg/kg|LC50 Rat inhalation (male & female) >5 mg/L/4 hr|For more Non-Human Toxicity Values (Complete) data for DIISOBUTYL KETONE (9 total), please visit the HSDB record page.

/OTHER TERRESTRIAL SPECIES/ Ketones, incl diisobutyl ketone, were tested for their ability to release alarm pheromones in ants. The most active cmpd were of a size & geometry similar to 4-methyl-3-heptanone.

Diisobutyl ketone's production and use as a solvent for paints, dyes and adhesives or as an extraction agent for the recrystallization of organic compounds(1) and a food additive(2) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from a water solubility of 2,640 mg/L(2) and a regression-derived equation(3), indicates that diisobutyl ketone is expected to have high mobility in soil(SRC). Volatilization of diisobutyl ketone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 1.65 mm Hg(3), and water solubility(2). Diisobutyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Diisobutyl ketone was shown to rapidly biodegrade under aerobic conditions(4-6).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from a water solubility of 2,640 mg/L(2) and a regression-derived equation(3), indicates that diisobutyl ketone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 1.65 mm Hg(4), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 12 hours and 7.5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation in oxygenated waters is expected to be an important environmental fate process for this compound(6-8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisobutyl ketone, which has a vapor pressure of 1.65 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diisobutyl ketone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 15 hours(SRC), calculated from its rate constant of 2.6X10-11 cu cm/molecule-sec at 25 °C(3). The photochemical degradation products of diisobutyl ketone with hydroxyl radicals are acetone and 2-methylpropanal(4). Diisobutyl ketone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(5).

The rate constant for the vapor-phase reaction of diisobutyl ketone with photochemically-produced hydroxyl radicals has been measured as 2.6X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 15 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The photochemical degradation products of diisobutyl ketone with hydroxyl radicals are acetone and 2-methylpropanal(2). Diisobutyl ketone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Diisobutyl ketone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(3).

An estimated BCF of 7 was calculated in fish for diisobutyl ketone(SRC), using a water solubility of 2,640 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of diisobutyl ketone is estimated as 57(SRC), using a water solubility of 2,640 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diisobutyl ketone is expected to have high mobility in soil.

The Henry's Law constant for diisobutyl ketone is estimated as 1.2X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.65 mm Hg(1), and water solubility, 2,640 mg/L(2). This Henry's Law constant indicates that diisobutyl ketone is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 12 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 7.5 days(SRC). Diisobutyl ketone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of diisobutyl from dry soil surfaces may exist based upon its vapor pressure(1).

DRINKING WATER: Diisobutyl ketone has been identified, not quantified in drinking water supplies from Poplarville, MS and Philadelphia, PA(1).|GROUNDWATER: Diisobutyl ketone has been detected at a maximum concn of 0.3 ppb in ground water monitoring conducted in the Netherlands(1).

In the industrial setting, exposure to diisobutyl ketone may occur by inhalation of the vapors and by eye and skin contact. However, the principal hazard to health would be inhalation of the vapors.|... Ingestion ...|NIOSH (NOES Survey 1981-1983) has statistically estimated that 72,926 workers (14,857 of these are female) are potentially exposed to diisobutyl ketone in the US(1). Occupational exposure to diisobutyl ketone may occur through inhalation and dermal contact with this compound at workplaces where diisobutyl ketone is produced or used(SRC). Monitoring and use data indicate that the general population may be exposed to diisobutyl ketone via ingestion of drinking water and dermal contact with products containing this compound(SRC).

Drug Information

There appears to be no specific information on the details of metabolism of diisobutyl ketone, but it probably undergoes the major metabolic change common to that of most ketones except acetone. That is reduction to the corresponding secondary alcohol which is usually eliminated combined with glucuronic acid.

Inhalation of vapor causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Vaporirritates eyes. Contact with liquid irritates skin. (USCG, 1999)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)|(See procedures)


Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.


Remove contaminated clothes. Rinse and then wash skin with water and soap.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

INHALATION. Symptoms: Cough. Dizziness. Headache. Nausea. Sore throat. Vomiting. First aid: Fresh air, rest. Artificial respiration may be needed. Refer for medical attention. SKIN: Symptoms: Redness. Numbness. First aid: Remove contaminated clothes. Rinse and then wash skin with water and soap. EYES: Symptoms: Redness. Pain. First aid: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. INGESTION: First aid: Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention.|Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Ketones and related compounds/|Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . For contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Ketones and related compounds/|Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ketones and related compounds/

/HUMAN EXPOSURE STUDIES/ ... The sensory response of humans to diisobutyl ketone vapors /was studied/ ... concn higher than 25 ppm had an objectionable odor and caused eye irritation.|/SIGNS AND SYMPTOMS/ DIISOBUTYL KETONE HAS A LOW DEGREE OF HAZARD IN INDUSTRIAL HANDLING. IT HAS A LOW ACUTE ORAL TOXICITY. WHEN IN CONTACT WITH THE EYES, IT SHOULD CAUSE NO MORE THAN MINOR IRRITATION. SKIN CONTACT WITH THE LIQUID MAY RESULT IN MILD IRRITATION OR EVEN A DERMATITIS DEPENDING UPON TYPE AND DURATION OF CONTACT. VAPORS, IN HIGH CONCN, EXERT BOTH IRRITANT & ... /CNS DEPRESSION/ ACTION. HUMANS FIND CONCN BELOW THOSE CAUSING ... /CNS DEPRESSION/ IN ANIMALS TO BE SUFFICIENTLY IRRITATING & DISCOMFORTING TO BE OFFENSIVE.|/SIGNS AND SYMPTOMS/ BECAUSE OF ITS HIGH FAT SOLVENCY IT IS SUSPECTED THAT FREQUENTLY REPEATED SKIN CONTACTS MAY CAUSE A DERMATITIS.|/CASE REPORTS/ A group of 12 volunteers was exposed for 15 minutes to DIBK vapor. Most individuals reported eye irritation at 50 ppm. 25 ppm was the concentration that most individuals reported as acceptable for 8 hour exposure.|/CASE REPORTS/ ... TWO MALE SUBJECTS WHO INHALED 50 PPM FOR 3 HR NOTED SLIGHT TRANSITORY IRRITATION OF MUCOUS MEMBRANES AT BEGINNING OF EXPOSURE. ... SLIGHT IRRITATION OF EYES & NOSE WAS NOTED BY 3 SUBJECTS EXPOSED TO 100 PPM, WITH SLIGHT LACRIMATION ... HEADACHE, & DIZZINESS ON RETURNING TO FRESH AIR.

2,6-dimethyl-4-heptanone

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.|inhalation, ingestion, skin and/or eye contact

irritation eyes, skin, nose, throat; headache, dizziness; dermatitis; liver, kidney damage


Cough. Dizziness. Headache. Nausea. Sore throat. Vomiting.


Redness. Numbness.


Redness. Pain.

Eyes, skin, respiratory system, central nervous system, liver, kidneys

Isobutyl ketone Use and Manufacturing

Methods of Manufacturing

Acid catalyzed condensation from acetone to form ketone, which is then hydrogenated to diisobutyl ketone.

Uses

Diisobutyl Ketone is a component of mint oil and L-carvone solutions for fungicidal and antigerminative treatment of bulbs and tubers.


Intermediates


Ink, toner, and colorant products

Production

10,000,000 - 50,000,000 lb|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1511]|4-Heptanone, 2,6-dimethyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|There are only 2 major producers/importers within the EU. The production/import volume in the EU is 5500 to 6500 t/a. In Canada, 2 companies manufactured DIBK between 1984 and 1986 (personal communication, no recent data available). The total production for 1986 was between 1000 and 10,000 tons. The total import quantites for 1986 was between 23 and 230 tons.

/DIBK/ use in the solvents for paints is relatively small at approximately 3500 t/a out of a total solvents use by the European paints sector of approximately 2x10+6 t/a.

Grade: Technical

All other basic organic chemical manufacturing|4-Heptanone, 2,6-dimethyl-: ACTIVE|Ketones, C9-branched: ACTIVE|Diisobutyl ketone has been detected at a concn of 10 percent in a commercially available paint stripper solvent.

Method: NIOSH 1300, Issue 2; Procedure: gas chromatography with flame ionization detector; Analyte: diisobutyl ketone; Matrix: air; Detection Limit: 0.02 mg/sample.|Method: NIOSH 2555, Issue 1; Procedure: gas chromatography with flame ionization detector; Analyte: diisobutyl ketone; Matrix: air; Detection Limit: 1.0 ug/sample.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Flammable - 2nd degree

Flavoring Agents

Computed Properties

Molecular Weight:142.24
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:142.135765193
Monoisotopic Mass:142.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:91.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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