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2-Pentanone

2-Pentanone structure

2-Pentanone 

structure
  • CAS No:

    107-87-9

  • Formula:

    C5H10O

  • Chemical Name:

    2-Pentanone

  • Synonyms:

    2-Pentanone;Methyl propyl ketone;Methyl n-propyl ketone;Ethylacetone;Propyl methyl ketone;4-Methyl-2-butanone;NSC 5350

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

2-Pentanone is a colorless ketone solvent that is a clear, colorless liquid. Its molecular formula is C5H10O​​​​, its molecular weight is 86.1323, it has a nail polish odor, a flash point of 45 °F, a density less than water, and is soluble in water. It is found in apples and can be isolated from soybean oil (Glycine max), pineapple, and some other plant sources. It also occurs naturally in tobacco and blue cheese and is a metabolite of Penicillium growth.

2-Pentanone Basic Attributes

86.13

86.13

506058

203-528-1

I97392I10V

0816

5350

1249

DTXSID0021888

Colorless liquid|Colorless to water-white liquid

2914 19 90

Characteristics

17.1

0.91

Liquid

0.809 g/cm3 @ Temp: 20 °C

-78 °C

101.7 °C

45 °F

n 20/D 1.39(lit.)

H2O: 43 g/L (20 ºC)

Flammables area

27 mm Hg ( 20 °C)

3

Oral-rat LD50: 1600 mg/kg; Oral-Mouse LD50: 1600 mg/kg

Flammable; spicy and irritating smoke is released from the fire

1.56-8.70%(V)

Characteristic acetone-like odor

4.66e-12 cm3/molecule*sec

8.36e-05 atm-m3/mole|Henry's Law constant = 8.36X10-5 atm-cu m/mol at 25 °C

Percent in saturated air 2.1%|Air pollution factors: 1 mg/cu m = 0.284, 1 ppm = 3.58 mg/cu m|Saturation concentraion in air: 52 g/cu m at 20 °C; 95 g/cu m at 30 °C|Hydroxyl radical reaction rate constant = 4.66X10-12 cu cm/molec-sec at 25 °C

Highly flammable. Soluble in water.

Ketones

Highly Flammable

METHYL PROPYL KETONE is incompatible with oxidizing agents, strong bases and reducing agents. Reacts violently with bromine trifluoride (NTP, 1992).

2-Pentanone|D*: Other compounds that may form peroxides|5 samples had 1-12 ppm peroxide; age >1-10+ yrs|Management of time-sensitive chemicals (JCHAS)

941 °F (USCG, 1999)|846 °F (452 °C)|505 °C

3099.4 kJ/mole at 25 °C

9.39 eV

Lower flammable limit: 1.5% by volume; Upper flammable limit: 8.2% by volume|Class IB Flammable Liquid: Fl.P. below 73°F and BP at or above 100°F.

The vapour mixes well with air, explosive mixtures are easily formed. As a result of flow, agitation, etc., electrostatic charges can be generated.

38.40 kJ/mol at 25 °C; 33.44 kJ/mol at boiling point of 103.26 °C

Safety Information

II

3

UN 1249 3/PG 2

1

11-22-36/37/38

9-16-29-33-37/39-26

SA7875000

F,Xn

Store in a cool, well-ventilated area, away from heat, ignition sources and incompatible materials. When transferring more than 5 gallons, the metal container must be grounded.

Explosive when mixed with air

Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.

P210-P301 + P312 + P330-P305 + P351 + P338-P370 + P378-P403 + P235

H225-H302-H319

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.|Incineration /SRP: with effective emission controls./|... In this study, a strain of the dimorphic black yeast Exophiala lecanii-corni, which has been shown to degrade high concentrations of toluene in a bioreactor, was evaluated for its ability to degrade a variety of VOCs, both individually and in mixtures. The fungus was found to be able to use toluene, ethyl benzene, methyl propyl ketone, n-butyl acetate, and ethyl ethoxypropionate as sole sources of carbon and energy; however, E. lecanii-corni was unable to degrade either xylene or benzene. When mixtures of chemicals were added to cultures of E. lecanii-corni, the fungus again degraded all of the chemicals except xylene and benzene. ... . These preliminary studies indicate that E. Lecanii-corni would be a feasible organism to use in biofiltration due to its ability to degrade a wide range of VOCs, even under harsh environmental conditions.|... The biofilter, packed with cubed polyurethane foam media and operated with an empty bed residence time of 15s, was supplied with a four-component mixture of n-butyl acetate, methyl ethyl ketone, methyl propyl ketone, and toluene at target influent concentrations of 124, 50.5, 174, and 44.6 mg/cu m, respectively. This corresponds to a total VOC loading rate of 94.3g/(cu m.hr). Biofilter performance was evaluated over a 94-day period for three loading conditions intended to simulate processes generating contaminated gases only during daytime operation, daytime operation with weekend shutdown periods, and with long term (9-day) shutdown. Results indicate that fungal biofilters can be an effective alternative to conventional abatement technologies for treating solvent contaminated off-gases even under discontinuous loading conditions.

Above flash point explosive vapor/air mixtures may be formed. Reacts violently with strong oxidizers, brome trifluoride, strong bases, amines, and isocyanates.|During evaporation of solvent hydrogen fluoride, an exothermic reaction between residual ketone and bromine trifluoride set in and accelerated to explosion.|Oxidizers, bromine trifluoride

Methyl propyl ketone is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

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: Flashback along vapor trail may occur. (USCG, 1999)|Highly flammable. Vapour/air mixtures are explosive.|Flammable - 3rd degree

|Danger|H225 (31.85%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P340, P305+P351+P338, P312, P330, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1893 companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P330, P331, P332+P313, P337+P313, 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 should be immediately removed due to its flammability hazard(i.e. for liquids with flash point Change: No recommendation is made specifying the need for the worker to change clothing after the work shift. (NIOSH, 2016)|Protective gloves. Protective clothing. Safety goggles, or eye protection in combination with breathing protection. Ventilation, local exhaust, or breathing protection.|The low degree of toxicity of methyl n-propyl ketone would indicate its relative safety provided skin and eye protection are available. Inhalation should not be hazardous if adequate ventilation is provided.|Skin contacts should be avoided by the use of protective gloves; goggles may also be necessary to prevent eye contact. /Ketones/|Wear appropriate personal protective clothing to prevent skin contact.|For more Personal Protective Equipment (PPE) (Complete) data for 2-PENTANONE (8 total), please visit the HSDB record page.|(See protection codes)

A highly flammable liquid. A very dangerous fire hazard when exposed to heat or flame ...

IN AIR 1.6 TO 8.2%|An explosion hazard in the form of vapor when exposed to heat or flame.|Explosive limits , vol% in air: 1.5-8.2

In case of fire: keep drums, etc., cool by spraying with water. AFFF, alcohol-resistant foam, powder, carbon dioxide.|If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. 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 "alcohol" foam, carbon dioxide, or dry chemical.

Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. Keep this chemical out of a confined space ... because of the possibility of an explosion ... 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.

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.|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.|PROCESS BUILDINGS SHOULD BE ... CONSTRUCTED & PROCESS PLANT SHOULD BE ... SITED AS TO PREVENT SPREAD OF ESCAPING LIQUID THROUGHOUT BUILDING. ... VENTILATION CONTROL: ALL OPERATIONS INVOLVING USE OF KETONES SHOULD BE CONDUCTED IN WELL-VENTILATED CONDITIONS ... BY PROVISION OF EFFICIENT EXHAUST VENTILATION. IF ... PERSON HAS TO ENTER VESSEL WHICH HAS CONTAINED KETONES, NORMAL SAFETY PROCEDURES FOR WORK IN CONFINED SPACES SHOULD BE ADOPTED. /KETONES/|Work practices and industrial hygiene techniques should minimize the volatilization of ketones in the workroom air in order to ensure that the exposure limits are not exceeded. /Ketones/|For more Preventive Measures (Complete) data for 2-PENTANONE (9 total), please visit the HSDB record page.

/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-PENTANONE (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.

Irritates the eyes, skin, and respiratory tact.|... Can produce slight to moderate irritation of the skin and eyes.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 200 ppm (700 mg/cu m).|Vacated 1989 OSHA PEL TWA 200 ppm (700 mg/cu m); STEL 250 ppm (875 mg/cu m) is still enforced in some states.

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 150 ppm (530 mg/cu m).

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. 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. Exposure above the OEL could cause lowering of consciousness.

Repeated or prolonged contact with skin may cause dermatitis.

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling.

Use ventilation, local exhaust or breathing protection.

Protective gloves. Protective clothing.

Wear safety goggles or eye protection in combination with breathing protection.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

2-Pentanone was identified in the effluent of 1 of 63 industrial plants in the US at a concn of less than 10 ppb(1). 2-Pentanone was detected in the effluent of a timber plant (median concn, 422.5 ppb); 5 organics and plastics plants (median concn, 40.4 ppb); 2 inorganic chemical producing plants (median concn, 108.1 ppb); 1 petroleum refinery (median concn, 8.3 ppb); 1 plastics and synthetics plant (median concn, 109.1 ppb); 5 pulp and paper products plants (median concn, 10.7 ppb); 2 oil and gas extraction facilities (median concn, 137.6 ppb); 3 public treatment facilities (median concn, 190.0 ppb)(2). 2-Pentanone was identified, not quantified, in the effluent of common household and garden waste in Denmark(3-6). 2-Pentanone was detected at a concn of 0.9 mg/L in the effluent of a shale oil retort facility in Logan Wash, Colorado(7). Air emissions of 2-pentanone (reported as percentage of total emissions) from various locations in Cairo, Egypt were identified with cyclohexene in regular whole (liquid) gas (3.01%), high grade whole (liquid) gas (2.73%) sampled directly from the pump at a gas station; along a roadway (2.32%), from a bus parking garage hot soak (0.69%), bus parking garage cold start (1.70%), motorcycle emissions (3.23%), petroleum refinery emissions (0.96%), lead smelter (0.36%), cast iron factory emissions (0.49%), and uncombusted natural gas (0.05%)(8). 2-Pentanone was found in highway tunnels in Tuscarora; light duty trucks emitted 0.043 mg/km traveled or 0.632 mg/L fuel used, heavy duty trucks emitted 0.973 mg/km traveled or 3.063 mg/L fuel used(9). 2-Pentanone was not found in rush hour traffic air samples taken at the Oakland-San Francisco Bay Bridge toll plaza 4/23/2001, 3-7 pm, 4/24/2001, 6-10 am, and 3-7 pm(10).

URBAN/SUBURBAN: 2-Pentanone was detected, not quantified, in the air of Pretoria, Johannesburg, and Durban, South Africa(1). 2-Pentanone was reported at 0.016-0.642 mg/cu m in ambient air samples taken May - Nov 2000 in Rio De Janeiro, Brazil(2). 2-pentanone was not detected (detection limit = 0.25 ppb) in 15 Helsinki samples tested May to Sep 1997(3). 2-Pentanone was found in 3 of 15 personal air samples from Helsinki, tested May to Sep 1997(3).|INDOOR AIR: 2-Pentanone was identified, not quantified, in 18 of 26 houses sampled in Finland(1). 2-Pentanone was detected in the indoor air at an unspecified location in the US at a concn of 0.142 ppb(2). 2-Pentanone was found in 1 of 15 indoor residences and was not found in 9 work places (detection limit = 0.25 ppb) in Helsinki samples tested May to Sep 1997(3).|RURAL/REMOTE: 2-Pentanone has been identified in air from the Southern Black Forest in Germany(1).|SOURCE DOMINATED: 2-Pentanone was found at 1 ppm in one of two biogas production facilities Aug 2000 and Feb 2003 in Linkoping, Sweden(1).

2-Pentanone was detected in used machine cutting-fluid emulsions (0.217 ppm) but not in fresh fluid emulsions(1).

Toxicity

moderately toxic

Thresholds responses of odor, nasal pungency (irritation), and eye irritation were measured for single chemicals (1-propanol, 1-hexanol, ethyl acetate, heptyl acetate, 2-pentanone, 2-heptanone, toluene, ethyl benzene, and propyl benzene) and mixtures of them (two three-component mixtures, two six-component mixtures, and one nine-component mixture). Nasal pungency was measured in subjects lacking a functional sense of smell (i.e., anosmics) to avoid interference from olfaction. Various degrees of stimulus agonism (additive effects) were observed for each of the three sensory channels when testing mixtures. As the number of components and the lipophilicity of such components in the mixtures decreased, so did the degree of agonism. Synergistic stimulus agonism characterized the eye-irritation response for the most complex (the nine-component) and the most lipophilic (one of the six-component) mixtures. Physicochemical properties play a large role in the determination of sensitivity to airborne chemicals, particularly to their ability to evoke irritation. While this has revealed itself previously with respect to single chemicals, it seems to have relevance to mixtures as well.|Chloroform-induced liver injury was evaluated in male rats pretreated (15 mmol/kg, orally) with 2-pentanone. After 18 hr, a challenging dose of chloroform (0.50 or 0.75 mL/kg, ip) was given, it potentiated chloroform-induced liver damage. The severity of the potentiated hepatotoxic response increased significantly with the ketone C chain length.

LD50 Rat oral 3.73 g/kg|LD Rat ip 800 mg/kg|LD50 Mouse ip 1600 mg/kg

2-Pentanone is released to the environment in forest fires(1) and is commonly found in various fruits(2-6). Trees and other plants including bay-leafed willow, European fir, evergreen cypress, red bilberry shrub, bilberry shrub, and fern emit 2-pentanone(7). Methyl ketones are oxidation products of alkanes and 2-pentanone is formed during the photooxidation and biodegradation of n-pentane(1,8).

2-Pentanone's production and use as a solvent(1) and as a substitute for diethyl ketone(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 75(SRC), determined from a log Kow of 0.91(2) and a regression-derived equation(3), indicates that 2-pentanone is expected to have high mobility in soil(SRC). Volatilization of 2-pentanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 8.36X10-5 atm-cu m/mole(4). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(5). 2-Pentanone has been shown to biodegrade under aerobic conditions(6-8).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 75(SRC), determined from a log Kow of 0.91(2) and a regression-derived equation(3), indicates that 2-pentanone 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 8.36X10-5 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 12 hours and 6.6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2-Pentanone is expected to biodegrade in water based on a screening test designed to simulate a polluted river, where the 5 day theoretical BOD for 2-pentanone was 43%(7).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-pentanone, which has a vapor pressure of 35.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-pentanone 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 3.5 days(SRC), calculated from its rate constant of 4.56X10-12 cu cm/molecule-sec at 25 °C(3). 2-Pentanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(4).

The rate constant for the vapor-phase reaction of 2-pentanone with photochemically-produced hydroxyl radicals has been measured as 4.56X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 3.5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2-Pentanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 2-Pentanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(2).

An estimated BCF of 3 was calculated in fish for 2-pentanone(SRC), using a log Kow of 0.91(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-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).

The Henry's Law constant for 2-pentanone is 8.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-pentanone is expected to volatilize 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 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)(2) is estimated as 6.6 days(SRC). 2-Pentanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(3).

DRINKING WATER: 2-Pentanone was detected, at a concn of 0.1 ppb in the drinking water of Ottumwa, IA(1). 2-Pentanone was detected, not quantified, in 4 of 14 drinking water supplies in England(2). Of ten US cities tested, 2-pentanone was identified in 5; Miami, FL, Ottumwa, IA, Philadelphia, PA, Cincinnati, OH, and Terrebonne Parish, LA(3).|SURFACE WATER: 2-Pentanone was detected, not quantified, in the Glatt River in Switzerland(1).

/IT IS USED IN/ NON-ALCOHOLIC BEVERAGES AT 13 PPM; ICE CREAM, ICES, ETC 34 PPM; CANDY & BAKED GOODS AT 32 PPM.|2-Pentanone was detected at a concn of 0.01 ug/g in the volatiles of pineapples(1). 2-Pentanone was identified, not quantified, in the volatiles of blue cheese(2), cured pork(3), beef(4), bananas(5), mango(6), chickpea seeds(7), chicken, mutton and pork(8), kiwi(9), Beaufort cheese(10), roasted filberts(11), fish sauce(12), and dry cured and spoiled ham(13). 2-Pentanone was identified, not quantified, in the volatiles of bananas, white bread, soybeans, potato chips, and toasted oats(14). 2-Pentanone was detected at a concn of 45-245 ppb in dry beans, and 59 and 29 ppb in split peas and lentils(15).

ENVIRONMENTAL: 2-Pentanone was identified, not quantified, in milk samples from Australia(1). 2-Pentanone was detected, but not quantified, in 2 of 12 samples of human milk from 4 urban/industrial areas in the USA(2). 2-Pentanone was detected, not quantified in human milk samples from Jersey City and Bayonne, New Jersey(3).

Routes of exposure: inhalation, ingestion, and skin contact|NIOSH (NOES Survey 1981-1983) has statistically estimated that 8,218 workers (1,129 of these are female) are potentially exposed to 2-pentanone in the US(1). Occupational exposure to 2-pentanone may occur through inhalation and dermal contact with this compound at workplaces where 2-pentanone is produced or used(SRC). Monitoring data indicate that the general population may be exposed to 2-pentanone via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound or other products containing 2-pentanone(SRC).

2-Pentanone was detected, but not quantified, in 2 of 12 samples of human milk from 4 urban/industrial areas in the USA(1). 2-Pentanone was detected, not quantified in human milk samples from Jersey City and Bayonne, New Jersey(2).

Drug Information

METHYL-N-PROPYL KETONE CAN BE ABSORBED ... THROUGH SKIN ... ELIMINATION TAKES PLACE MAINLY UNCHANGED IN EXPIRED AIR, TO EXTENT OF 38-54% IN ABOUT 25-35 HR ... RATE OF ELIMINATION FROM BLOOD STREAM IS ONLY HALF AS FAST AS ... CORRESPONDING ALCOHOL, BUT IT IS EXCRETED TO SOME EXTENT IN COMBINATION WITH GLUCURONIC ACID.

... Male mice of ICR strain were exposed to about 5% n-pentane for one hour while the oxygen in the environmental air was maintained at about 20%. Then their blood and liver tissue were collected and analyzed by means of GC and GC-MS. The metabolites thus obtained were 2-pentanol, 3-pentanol and 2-pentanone. ... In the presence of the NADPH-generating system liver microsomes were made to react to the substrate of saturated n-pentane or isopentane aqueous solution at 37 degrees C for one hour. As a result, the same metabolites were produced as obtained in the exposure experiment. It was therefore suggested that n-pentane ... /was/ metabolized chiefly by liver microsomes. Male mice of ICR strain were fed with 80 mg/kg b.w. of phenobarbital for consecutive four days and exposed to n-pentane ... for one hour. This resulted in an increase in the amount of 2-pentanol and 2-pentanone in the n-pentane inhalation .... inhalation experiment. ...|METHYL-N-PROPYL KETONE CAN BE ABSORBED ... THROUGH SKIN ... ELIMINATION TAKES PLACE MAINLY UNCHANGED IN EXPIRED AIR, TO EXTENT OF 38-54% IN ABOUT 25-35 HR ... RATE OF ELIMINATION FROM BLOOD STREAM IS ONLY HALF AS FAST AS ... CORRESPONDING ALCOHOL, BUT IT IS EXCRETED TO SOME EXTENT IN COMBINATION WITH GLUCURONIC ACID.

... The commercial material consists of a mixture of methyl propyl and diethyl ketones in the approximate ratio of 3:1 and contains at least 97% of these ketones, the balance being sec-amyl alcohol. ...

Exposure can cause irritation of eyes, nose and throat. (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. 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.

INHALATION. Symptoms: Cough. Dizziness. Drowsiness. Dullness. Headache. Sore throat. First aid: Fresh air, rest. Refer for medical attention. SKIN: Symptoms: Dry skin. Redness. First aid: Remove contaminated clothes. Rinse skin with plenty of water or shower. 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: Symptoms: Abdominal pain. Nausea. First aid: Rinse mouth. Do NOT induce vomiting. 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/ thresholds for eye irritation and odor /were measured/ in homologous series of alcohols (ethanol, 1-butanol, 1-hexanol and 1-octanol), ketones (2-propanone, 2-pentanone, 2-heptanone and 2-nonanone), and alkylbenzenes (toluene, ethyl benzene and propyl benzene). Eye irritation thresholds were well above odor thresholds for all series. Both sensory thresholds declined with carbon chain length, a trend that has implicated lipophilicity in the potency of these and related stimuli. Eye irritation thresholds were remarkably close to nasal pungency thresholds obtained previously in persons lacking olfaction (i.e. anosmics). The agreement between the two thresholds implies that, despite differences in the mucus layer at the two sites and in the epithelial tissue itself, there is remarkable similarity at the site of stimulation. As a practical matter, the eyes could serve as the sites to assess potency for induction of nasal pungency, an assessment previously limited to testing anosmics. Presumably, for our brief stimulus presentations (1-3 sec), the differences between ocular and nasal mucosae have little relevance to chemical sensitivity. ...|/SIGNS AND SYMPTOMS/ Men exposed to 1300 to 1500 ppm in air found even a brief exposure was severely irritating to eyes ... but this produced no damage. No ocular injury from vapors has been reported from industrial use.|/SIGNS AND SYMPTOMS/ ... Exposure to 150 ppm of MPK in air was associated with a strong odor and with ocular and upper respiratory tract irritation.|/OTHER TOXICITY INFORMATION/ Halitosis can have an intra- or extra-oral origin. In all cases, bad breath is caused by the presence of volatile organic compounds originating from the mouth or the expired air. ... Alveolar and mouth air of 40 healthy volunteers as well as environmental air were analyzed by gas chromatography-mass spectrometry (GC-MS) and by a commercially available GC device (OralChroma) /and/ 14 compounds, associated with halitosis could be detected. All of them except carbon disulfide, appeared to be (partly) produced endogenously and/or in the mouth. Acetone, 2-butanone, 2-pentanone and 1-propanol were common to all volunteers in both alveolar and mouth air and indole and dimethyl selenide in alveolar air. ...

2-pentanone

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, mucous membrane; headache; dermatitis; narcosis, coma


Cough. Dizziness. Drowsiness. Lethargy. Headache. Sore throat.


Dry skin. Redness.


Redness. Pain.

Eyes, skin, respiratory system, central nervous system

2-Pentanone Use and Manufacturing

Methods of Manufacturing

It is obtained by predistilling a mixture of calcium acetate and calcium butyrate. By sodium hexanoate (or ammonium hexanoate) derived from hydrogen peroxide.

Uses

2-Pentanone can be prepared from ethanol at 250~500℃ and 0.1~8.0MPa. 2-Pentanone is a minor solvent that can be used for cleaning or degreasing and as part of a product formulation or mixture. It is also an industrial intermediate that can be used as a paint additive and coating additive. It is sometimes used as a flavoring food additive in very small quantities.

Production

10,000,000 - 50,000,000 lb|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#529]|2-Pentanone 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).

Grade: Technical|90.0% PURITY PRODUCT AVAILABLE FROM EASTMAN CHEMICAL PRODUCTS, INC.

All other basic organic chemical manufacturing|2-Pentanone: ACTIVE

Analyte: 2-pentanone; Matrix: air; Procedure: gas chromatography; Range: 395-1570 mg/cu m; Precision: 0.063|Purge-and-trap analysis using fused silica capillary column gas chromatography/mass spectrometry was evaluated for the analysis of priority pollutant organics. Preliminary tests of a 30-m SE54 capillary column systems indicated satisfactory precision (8.5%) and excellent accuracy (98.5% and 102% recoveries). Not only was the capillary column much faster than the packed column (13 min compared to 33 min), it also overcame difficulties normally encountered with samples having excessive complexity, very large concn spread among components, or high concn of high-boiling components.|AN AUTOMATED ECG 900 GAS CHROMATOGRAPHY SYSTEM WAS USED TO MEASURE SOLVENT EXPOSURE IN A PAINT FACTORY FOR 20 DAYS. SAMPLING WAS PERFORMED AUTOMATICALLY EVERY 15 MIN AT EACH OF SEVERAL FIXED STATIONS IN 2 DEPT, & FED DIRECTLY TO GAS CHROMATOGRAPH.|The vapor is collected in water and the soln allowed to react with acidic 2,4-dinitrophenylhydrazine soln. The addition of methanolic potassium hydroxide results in the formation of red coloration, which is compared visually with standards after 10 min.|For more Analytic Laboratory Methods (Complete) data for 2-PENTANONE (8 total), please visit the HSDB record page.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]|Fire Hazards -> Flammable - 3rd degree

Flavoring Agents

Computed Properties

Molecular Weight:86.13
XLogP3:0.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:86.073164938
Monoisotopic Mass:86.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:47.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Price Analysis

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  • Data: 2026-06-29
  • Price: 19500.00Yuan/ton
  • Change: 0

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