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Home > Encyclopedia > 2-Heptanone

2-Heptanone

2-Heptanone structure

2-Heptanone 

structure
  • CAS No:

    110-43-0

  • Formula:

    C7H14O

  • Chemical Name:

    2-Heptanone

  • Synonyms:

    2-Heptanone;Amyl methyl ketone;n-Amyl methyl ketone;Methyl amyl ketone;Methyl n-amyl ketone;Methyl pentyl ketone;Pentyl methyl ketone;Butylacetone;n-Pentyl methyl ketone;Methyl n-pentyl ketone;1-Methylhexanal;2-Oxoheptane;NSC 7313;MAK

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless to white liquid with a banana-like, fruity odor.


N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126°F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless, mobile liquid with a fruity, spicy odour|Colorless to white liquid with a banana-like, fruity odor.


N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126°F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.|Heptan-2-one is a dialkyl ketone with methyl and pentyl as the alkyl groups. It has a role as a pheromone and a mouse metabolite. It is a dialkyl ketone and a methyl ketone.

2-Heptanone Basic Attributes

114.18500

114.19

203-767-1

89VVP1B008

0920

7313

1110

DTXSID5021916

Colorless to white liquid

2942000000

Characteristics

17.07000

2.15570

N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126°F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.

0.8068 g/cm3 @ Temp: 30 °C

-35.5 °C

111 °C @ Press: 21 Torr

47ºC

1.4075-1.4095

H2O: 4.3 g/L (20 ºC)

Flammables area

2.14 mm Hg ( 20 °C)

3.94 (vs air)

Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

vol% in air: 1.5

Penetrating fruity odor

PEAR-LIKE FLAVOR

1.17e-11 cm3/molecule*sec

1.69e-04 atm-m3/mole|Henry's Law constant = 1.69X10-4 atm-cu m/mol at 25 °C

CAN REACT WITH OXIDIZING MATERIALS.|Ionization Potential: 9.33 electron volts|82.7 cal/g|Hydroxyl radical reaction rate constant = 1.17X10-11 cu cm/molec-sec at 25 °C

Flammable. Slightly soluble in water.

Ketones

Highly Flammable

N-AMYL METHYL KETONE reacts exothermically with many acids and bases to produce flammable gases (e.g., H2). The heat may be sufficient to start a fire in the unreacted portion. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas and heat. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. Incompatible with many oxidizing agents including nitric acid, nitric acid/hydrogen peroxide mixture, and perchloric acid. May form peroxides (USCG, 1999).

739 °F (USCG, 1999)|740 °F (393 °C)|393 °C

9.33 eV

Lower flammable limit: 1.1% by volume at 151 °F (66 °C); Upper flammable limit: 7.9% by volume at 250 °F (121 °C)|Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

Will attack some forms of plastic

12,478.9 G CAL/G MOL

Safety Information

III

3

UN 2810

2

R10; R20/22

S24/25

MJ5250000

Xn

Fireproof.

Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases.

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P312, P304+P340, P312, P330, P370+P378, P403+P235, P501

H226-H302 + H332

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.

Strong acids, alkalis, and oxidizers (Note: Will attack some forms of plastic).

2-Heptanone is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Synthetic flavoring substances and adjuvants /incl 2-Heptanone/ may be safely used in foods.

The Food Chemicals Codex (1972) has a monograph on methyl amyl ketone.|EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Availble from: http://www.epa.gov/chemrtk/view srch.htm on 2-Heptanone as of January 6, 2006

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. Behavior in Fire: Closed containers may explode when exposed to extreme heat. (USCG, 1999)|Flammable. Above 48 °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, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P312, P304+P340, P312, P330, P370+P378, P403+P235, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 3256 companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: 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 127 [Flammable Liquids (Water-Miscible)]: 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: Wear appropriate eye protection to prevent eye contact. 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)|Wear appropriate personal protective clothing to prevent skin contact.|Wear appropriate eye protection to prevent eye contact.|Respirator Recommendations : Up to 800 ppm: (Assigned Protection Factor = 10) Any chemical cartridge respirator with organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 25) Any powered, air-purifying respirator with organic vapor cartridge(s). Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister./(Assigned Protection Factor = 10) Any supplied-air respirator. Substance reported to cause eye irritation or damage; may require eye protection./(Assigned Protection Factor = 50) Any self-contained breathing apparatus with a full facepiece.|Respirator Recommendations : Emergency or planned entry into unknown concentrations or IDLH conditions: (Assigned Protection Factor = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode./(Assigned Protection Factor = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.|Respirator Recommendations : Escape: (Assigned Protection Factor = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister/Any appropriate escape-type, self-contained breathing apparatus.|(See protection codes)

A flammable liquid when exposed to heat or flame ...

UPPER EXPLOSIVE LIMIT (250 °F) 7.9%; LOWER EXPLOSIVE LIMIT: (151 °F) 1.1%|Explosive limits , vol% in air: 1-5.5

To fight fire, use foam, carbon dioxide, dry chemical.

The basic ventilation methods are local exhaust ventilation and dilution or general ventilation.|SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.|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.|The worker should immediately wash the skin when it becomes contaminated.|Work clothing that becomes wet or significantly contaminated should be removed and replaced.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ 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.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ 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 may cause pollution.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. 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 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ 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 2-HEPTANONE (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.

Vapor: Irritating to eyes, nose and throat. Liquid: Irritating to skin and eyes.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 100 ppm (465 mg/cu m).

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 100 ppm (465 mg/cu m).

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable metal containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Fireproof.

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. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause lowering of consciousness.

The substance defats the skin, which may cause dryness or cracking.

NO open flames, NO sparks and NO smoking. Above 48 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

| 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.

2-Heptanone was qualitatively detected in 2 of 46 U.S. industrial effluent samples(1). 2-Heptanone was detected in the raw effluent from a textile finishing plant, NC, concentration not provided(2). 2-Heptanone was detected in 4 of 7 effluent samples obtained from energy related processes at a concentration of 5-224 ppb(3). 2-Heptanone has been found in 2 of 63 industrial effluent samples obtained from a wide range of chemical manufacturers in areas across the US at a concn of <10 ug/L (4). It was detected in the effluent from municipal landfills at a concn of 600-800 mg/L(5). 2-Heptanone was identified in emissions from four semiconductor factories in Hsin-Chu, Taiwan from October 2000 to September 2001(6). Emissions of 2-heptanone were identified with 4-methyloctane in regular whole gasoline, high grade whole gasoline, roadway, bus parking garage hot soak, bus parking garage cold start, motorcycle emissions, petroleum refinery emissions, lead smelter, and cast iron factory emissions in Cairo, Egypt(7). 2-Heptanone was detected but not quantified in the effluent of an incineration plant in Germany(8). Laboratory scale composting emissions contained 2-heptanone(9). Aerobic compost emissions of 2-heptanone were measured at 1.4 g/ton with a maximum measured amount of 2.4 g/ton and combination anaerobic/aerobic compost emissions of 0.4 g/ton anaerobic and <0.1 g/ton aerobic(10). 2-Heptanone was detected but not quantified in the emissions of kitchen waste, kitchen waste exudate and building materials with microbial growth(11).

URBAN/SUBURBAN: 2-Heptanone was measured in ambient air in Southern Taiwan from January 1998 to April 1998 and was not detected in Hsinghua, below the detection limit to 6.8 ug/cu m in Chao-Chou, not detected to 1.9 ug/cu m in Chiaotou, and not detected to 5 ug/cu m in Meinong(1). 2-Heptanone was measured but concentration not reported from four sites in Southern Taiwan; Shan-Hua, May-Nung, Ping-Tung and Chao-Chou(2).|RURAL/REMOTE: 2-Heptanone was detected, not quantified in air samples in Whitaker's Forest, California(1).|SOURCE DOMINATED: 2-Heptanone was qualitatively detected in air samples obtained in the industrialized Kanawha Valley, WV, 1977(1).

Toxicity

Chloroform-induced liver injury was evaluated in male rats pretreated (15 mmol/kg, orally) with 2-heptanone. After 18 hr, a challenging dose of chloroform (0.50 or 0.75 ml/kg ip) was given. Liver damage was evaluated 24 hr after chloroform admin by determining elevations in plasma glutamic-pyruvic transaminase and ornithine carbamyl transferase activity. 2-Heptanone potentiated chloroform-induced liver damage.|When methyl n-amyl ketone (456 mg/kg) was administered with equimolar doses of MnBK (methyl n-butyl ketone) by subcutaneous injection 5 days/week for 20 week, the neurotoxicity of MnBK, as measured by motor fiber conduction velocity and motor distal latency, was enhanced (p<0.01) ...|Chloroform (CHCl3)-induced hepato- and nephrotoxicity was evaluated in male, Fischer 344 rats pretreated with various dosages (1.0 to 15.0 mmol/kg, /orally/) of acetone (Ac), 2-butanone (Bu), 2-pentanone (Pn), 2-hexanone (Hx), or 2-heptanone (Hp). The CHCl3 challenge dosage (0.5 ml/kg, ip) produced slight centrilobular hydropic degeneration and patchy degeneration and necrosis in the proximal tubules of corn oil-pretreated rats. Each of the ketones studied produced a dose-related potentiation of CHCl3 liver and kidney injury. CHCl3 produced extensive tubular and centrilobular necrosis when administered to ketone-pretreated rats. The relationship between ketone dosage and the magnitude of the potentiated response was nonlinear. Maximum potentiation of CHCl3 toxicity occurred in the dosage range of 5.0 to 10.0 mmol ketone/kg. Ketone dosages greater than 10.0 mmol/kg were associated with a reduction in the degree of CHCl3 injury. At the lowest ketone dosage (1.0 mmol/kg), potentiating capacity appeared to be related to ketone carbon skeleton length. No differences in potentiating capacity were discernable between the ketones at dosages of 5.0 to 10.0 mmol/kg.

LD50 Rat oral 1.670 g/kg|LD50 Mouse oral 730 mg/kg|LD50 Rat ip 800 mg/kg|LD50 Rabbit skin 12 600 mg/kg

2-Heptanone is a natural product and is a component of foods(1), oil of cloves and cinnamon-bark oil(2).

2-Heptanone's production and use as a solvent(1) and in perfumery(2) may result in its release to the environment through various waste streams(SRC). 2-Heptanone may also be released to the environment as a volatile emission during loading and transport(3), in industrial effluent(4), and in the effluent from landfills(5).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is expected to have moderate mobility in soil(SRC). Volatilization of 2-heptanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.85 mm Hg(5). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(6-9).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4.8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(7-10).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-heptanone, which has a vapor pressure of 3.85 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-heptanone 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 1.4 days(SRC), calculated from its rate constant of 1.17X10-11 cu cm/molecule-sec at 25 °C(3). Although 2-heptanone has the potential of being removed from the atmosphere by direct photochemical degradation(4), the rate of this process is not expected to be able to compete with atmospheric removal by the reaction with hydroxyl radicals(SRC).

The rate constant for the vapor-phase reaction of 2-heptanone with photochemically-produced hydroxyl radicals is 1.17X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 1.4 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). 2-Heptanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Although 2-heptanone is capable of direct photochemical degradation because of the reaction of its carbonyl functional group(4), the rate of atmospheric removal by this process is not expected to compete with degradation by the reaction with photochemically produced hydroxyl radicals(SRC).

An estimated BCF of 7 was calculated for 2-heptanone(SRC), using a log Kow of 1.98(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 2-heptonone is estimated as 280(SRC), using a log Kow of 1.98(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-heptanone is expected to have moderate mobility in soil.

An experimental Henry's Law constant of 1.69X10-4 atm cu m/mole at 25 °C(1) indicates that 2-heptanone is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 4.8 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)(2) is estimated as 6 days(SRC). 2-Heptanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.86 mm Hg(3).

DRINKING WATER: 2-Heptanone has been qualitatively detected in US drinking water supplies(1).

2-Heptanone was detected as a volatile flavor component of roasted filberts(1), baked potatoes(2), blue cheese(3), Beaufort (Gruyere) cheese(4), fried bacon(5), clove essential oil(6), chickpeas(7), fried chicken(8), earth almonds (Cyperus esculentus L.)(14), frankfurters(15), raw beef(17), and in food products processed from the Cassava root(9). 2-Heptanone has been identified in swiss cheese (0.45 ppm) evaporated milk, butter, milk, cream (0.004-0.007 ppm), milk fat (16 ppm), white bread, soybeans (1 ppm) peaches and orange juice(10). 2-Heptanone has been measured in canned cream corn (6 ppb), canned corn (21 ppb), frozen corn (3 ppb) and fresh corn (18 ppb)(11). 2-Heptanone was found in popcorn using wet extraction method at 60 ug/kg and dry extraction method at 17 ug/kg(12). Commercial rice cakes were found to contain 15 ppb of 2-heptanone(13). Fermented soybean (Glycine max) curds were found to contain 601.7 to 972.6 ug/kg of 2-heptanone(16). 2-Heptanone was found in uncured beef (0.21 mg/kg), chicken (0.54 mg/kg) and pork (0.20 mg/kg)(18). 2-Heptanone was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(19). 2-Heptanone was isolated as a volatile component of duck meat (5.68 ppb), duck fat (11.62 ppb), Cantonese style roasted duck (38.44 ppb) and Cantonese style roasted duck gravy (63.45 ppb)(20). 2-Heptanone was measured at 146 ng/g, 455 ng/g, 115 ng/g and 42 ng/g in anchovy paste, big eyed herring paste, hair tail viscera paste and shrimp paste, respectively(21).

2-Heptanone was detected, not quantified in store bought milk in Australia(1).

NIOSH (NOES Survey 1981-83) has statistically estimated that 78,196 workers (17,866 of these are female) are exposed to 2-heptanone in the US(1). Occupational exposure to 2-heptanone may occur by inhalation or dermal contact during its production, formulation or transport(SRC). Exposure to the general population may occur by ingestion of food in which it occurs naturally, and artificially by inhalation during the use of commercial products in which 2-heptanone is used as a solvent, use of perfumery products or by the ingestion of contaminated drinking water(SRC).

2-Heptanone was found in 36 of 46 samples analyzed for the National Human Adipose Tissue Survey, FY 1982(1).

Drug Information

Results of tissue distribution studies of (14)C methyl n-amyl ketone in rats comparing ip and inhalation routes of exposure were similar. Liver tissue had the highest level of radioactivity regardless of the route of admin; however, no liver pathology was observed. Urinary excretion accounted for 25% of the admin dose after 12 hr.|/It was/ reported that 41% of an orally administered dose of 0.95g/kg /methyl n-amyl ketone/ in rabbits was excreted as 2-heptyl glucuronide ...Inhibition of P450 2EL increases the amount of MnAK exhaled.

MnAK undergoes carbonyl reduction to a secondary alcohol and omega-1 oxidation to a hydroxyketone, which is further oxidized to 2,6-heptanedione.|When 950 mg methyl amyl ketone/kg body weight was administered orally to rabbits, 40% was excreted as heptyl-2-glucuronide, and traces of the unchanged ketone were also found in the urine. 2-Heptanone ... was identified ... among ... 300 compounds present in the volatile constituents of urine from male and female subjects.|A subchronic inhalation study was conducted in which male rats and monkeys were exposed to 0, 131, or 1025 ppm methyl n-amyl ketone for 10 mo (6 hr/day, 5 days/wk). Methyl n-amyl ketone and methyl n-amyl alcohol were detected in the urine and serum of monkeys exposed to methyl n-amyl ketone.|/It was/ reported that 41% of an orally administered dose of 0.95g/kg /methyl n-amyl ketone/ in rabbits was excreted as 2-heptyl glucuronide ...Inhibition of P450 2EL increases the amount of MnAK exhaled.

Inhalation can cause headache, fatigue, nausea, vomiting, dizziness, stupor, drowsiness, disturbed vision, and unconsciousness. Skin contact can cause moderate irritation, defatting, and dermatitis. Ingestion may cause irritation of lips and mouth, gastro-intestinal irritation, nausea, diarrhea, drowsiness, loss of consciousness, weak and rapid pulse, cold-pale complexion. (USCG, 1999)

Eye: If this chemical contacts the eyes, immediately wash the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Contact lenses should not be worn when working with this chemical. Skin: If this chemical contacts the skin, wash the contaminated skin with soap and water. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. Other measures are usually unnecessary. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)|(See procedures)


Fresh air, rest. Refer for medical attention.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


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

Basic treatment: Establish a patent airway. 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 normal saline 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 or in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ketones and related compounds/

/HUMAN EXPOSURE STUDIES/ Skin sensitization studies were conducted with 26 human volunteers. At a concn of 4% MnAK in petrolatum, no positive reactions were observed.|/SIGNS AND SYMPTOMS/ Skin irritant; moderately toxic by inhalation ... /SRP: CNS depressant/ in high concentration.

2-heptanone

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

irritation eyes, skin, mucous membrane; headache; narcosis, coma; dermatitis


Cough. Dizziness. Headache. Unconsciousness. Blurred vision.


Dry skin. Redness.


Redness.

Eyes, skin, respiratory system, central nervous system, peripheral nervous system

2-Heptanone Use and Manufacturing

Methods of Manufacturing

Produced industrially by reductive condensation of acetone with butyraldehyde in one or two steps.|Prepd by the ketone decomposition of ethyl butylacetoacetate; by hydration of 1-heptyne and 2-heptyne

Uses

Industrial solvent, solvent for synthetic resin finishes, fragrance ingredient in creams, lotions, perfumes, soaps & detergents, flavor ingredient in foods, inert reaction medium.


Paint additives and coating additives not described by other categories


Building/construction materials not covered elsewhere

Production

50,000,000 - 100,000,000 lb|This chemical is listed as a High Production Volume (HPV) (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).|(1972) GREATER THAN 4.54X10+5 G|(1975) GREATER THAN 4.54X10+5 G|(1986) >10 million-50 million pounds|For more U.S. Production (Complete) data for 2-HEPTANONE (8 total), please visit the HSDB record page.

GRADE: Technical

All other basic organic chemical manufacturing|2-Heptanone: ACTIVE|Reported uses: in non-alcoholic beverages at 2.7 ppm; ice cream, ices, etc 6.0 ppm; candy 6.4 ppm; baked goods 13 ppm; & condiments 10-25 ppm.

A modified variant of the purge and trap GC method with FID was used for the determination of trace organics in water. Flow rate is 100 mg/min for 60 min. The recoveries of 2-heptanone from water at 30 and 60 °C were 46% and 85%, respectively.|Method: NIOSH 1301, Issue 2; Procedure: gas chromatography with flame ionization detector; Analyte: methyl-n-amyl ketone; Matrix: air; Detection Limit: 0.05 mg/sample.|Method: NIOSH 2553, Issue 1; Procedure: gas chromatography with flame ionization detector; Analyte: methyl-n-amyl ketone; Matrix: air; Detection Limit: 0.5 ug/sample.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]|Fire Hazards -> Flammable - 2nd degree

Flavoring Agents

Computed Properties

Molecular Weight:114.19
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:66.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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