3-Octanone

128.21

128.21

1700021

203-423-0

79173B4107

60161

2271

DTXSID3041954

Colorless liquid

29141900

17.1

2.22 (est)

Ethyl amyl ketone appears as a clear colorless liquid with a pungent odor. Insoluble in water and partially soluble in alcohol. Flash point of 138°F. Vapors are denser than air and may have a narcotic effect in high concentrations. Used in making perfumes and as a solvent for nitrocellulose and vinyl resins.

0.820 g/cm³ @ Temp: 24 °C

-23 °C

167.5 °C @ Press: 760 Torr

115 °F

n 20/D 1.415(lit.)

H2O: 0.7 g/L

Flammables area

2 mmHg

Abdominal cavity-mouse LD50: 406 mg/kg

combustible

Mild fruity odor

Henry's Law constant = 1.30X10-4 atm-cu m/mol at 25 °C (est)

One gallon weighs 6.83 lbs at 20 °C. BP 157-162 °C at 760 mm Hg.|Compatible with alcohols, ketones, ethers, manu other organic solvents.|Freezing point = 46 °C|Hydroxyl radical reaction rate constant = 9.3X10-12 cu cm/molec-sec at 25 °C (est)

Flammable. Insoluble in water.

Ketones

Highly Flammable

Ketones, such as ETHYL AMYL KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

III

3

UN 2271 3/PG 3

1

10-36/37/38-36

26-36-39-16

RH1485000

Xi

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

Irritant

Steam and air can be explosive when mixed

P261-P305 + P351 + P338

H226-H315-H319-H335

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.

3-Octanone 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: Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999)

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1775 companies from 8 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, 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: 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)|Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles. ...

FIRE HAZARD: MODERATE.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

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.|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.

/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Evacuation: 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.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixture containing a high percentage of an alcohol or polar solvent, alcohol-resistant foam may be more effective. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Use water spray or fog; do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Spill or Leak: 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 spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.|/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.|For more DOT Emergency Guidelines (Complete) data for 3-OCTANONE (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.

Skin contact may cause moderate irritation ... .

3-Octanone was detected in volatile emissions of a liquid floor wax(1). 3-Octanone was detected but not quantified in the emissions of garden waste(2).

SOIL: Soil beneath Picea abies trees which had been exposed to simulated acidic rain and ozone or sulphur dioxide for 5 years contained 3-octanone(1).

moderately toxic

LD50 Rat oral >5 g/kg|LD50 Mouse ip 406 mg/kg

FOUND IN OIL OF LAVENDER.|FRESHLY DISTILLED OIL OF THE LEAVES OF ROSMARINUS OFFICINALIS L CONTAINED 3-OCTANONE, HITHERTO NOT REPORTED TO BE PRESENT IN THIS OIL.|Soil beneath Picea abies trees which had been exposed to simulated acidic rain and ozone or sulphur dioxide for 5 years contained 3-octanone, due to fungal metabolism(1). 3-Octanone was measured in fresh, tree-ripened nectarines(2), and pineapple guava(3). 3-Octanone, resulting from fungal metabolism, was measured in stored barely(4).

3-Octanone's production and use as a fragrance ingredient(1) 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 58(SRC), determined from a water solubility of 2600 mg/L(2) and a regression-derived equation(3), indicates that 3-octanone is expected to have high mobility in soil(SRC). Volatilization of 3-octanone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(2), and water solubility(2). 3-Octanone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(2). Under aerobic conditions, this compound may biodegrade; 3-octanone at 500 mg/L reached an average of 1.1, 2.0, and 3.4% of the theoretical oxygen demand within 6, 12, and 24 hours when inoculated with activated sludge(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 58(SRC), determined from a water solubility of 2600 mg/L(2) and a regression-derived equation(3), indicates that 3-octanone 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 1.3X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 2.0 mm Hg(2), 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 11 hours and 6.8 days, respectively(SRC). According to a classification scheme(4), 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). Under aerobic conditions, this compound may biodegrade; 3-octanone at 500 mg/L reached an average of 1.1, 2.0, and 3.4% of the theoretical oxygen demand within 6, 12, and 24 hours when inoculated with activated sludge(5).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-octanone, which has a vapor pressure of 2.0 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-octanone 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 41 hours(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 3-Octanone 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 3-octanone with photochemically-produced hydroxyl radicals has been estimated as 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 41 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 3-Octanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 3-Octanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(2).

An estimated BCF of 7 was calculated in fish for 3-octanone(SRC), using a water solubility of 2600 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 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.

The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-octanone 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 11 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 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).

GROUNDWATER: 3-Octanone was detected in a study of 232 groundwater pumping stations in The Netherlands with a high concentration of 0.3 ug/L(1).|DRINKING WATER: Finished drinking water from New Orleans, LA (sampled 1/14/76), Philadelphia, PA (sampled twice on 2/10/76), and Seattle, WA (sampled 11/5/76) contained unreported quantities of 3-octanone(1).

3-Octanone was isolated as a volatile component of duck meat (0.57 ppb), duck fat (8.65 ppb), Cantonese style roasted duck (2.41 ppb) and Cantonese style roasted duck gravy (27.76 ppb)(1). 3-Octanone was measured as a volatile component of fresh, tree-ripened nectarines(2), pineapple guava (2.33 ug/g)(3), and Beaufort cheese(4). 3-Octanone is a volatile component contributing to aroma in cooked chicken, beef, and pork(5). 3-Octanone was identified in ground earth almonds (Cyperus esculentus L.)(6). Fermented soybean (Glycine max) curds were found to contain 92.9 to 427.6 ug/kg of 3-octanone(7). 3-Octanone was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(8). 3-Octanone was measured at 74.5 ng/g in anchovy paste and at 152 ng/g in big eyed herring paste(9).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 4673 workers (730 of these are female) are potentially exposed to 3-octanone in the US(1). Occupational exposure to 3-octanone may occur through inhalation and dermal contact with this compound at workplaces where 3-octanone is produced or used(SRC). Monitoring and use data indicate that the general population may be exposed to 3-octanone via ingestion of food and drinking water, and dermal contact with consumer products containing 3-octanone(SRC).

3-Octanone was detected in 1 of 46 samples of human adipose tissue collected in the United States(1).

May be harmful by inhalation, ingestion or skin absorption. Vapor or mist is irritating to eyes, mucous membrane and upper respiratory tract. Causes skin irritation. (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, flush the contaminated skin with water. Where there is evidence of skin irritation, get medical attention. Breathing: If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform mouth-to-mouth resuscitation. Keep the affected person warm and at rest. Get medical attention as soon as possible. Swallow: If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2016)

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/ ... 3-Octanone at 2.0 percent in petrolatum /was tested/ on 25 volunteers. It produced no skin irritation after 48 hr under an occlusive patch and a maximization test revealed no sensitization reactions.|/SIGNS AND SYMPTOMS/ CAUTION: /SRP: CNS DEPRESSANT/...IN HIGH CONCENTRATIONS.

3-octanone

3-Octanone: ACTIVE|INCOMPATABILITIES: COMPATIBLE WITH ALCOHOL.|CONCENTRATIONS IN FINAL PRODUCT (%) RANGE FROM USUAL TO MAXIMUM AMT AS FOLLOWS: IN SOAP 0.01-0.05; IN DETERGENT 0.001-0.02; IN CREAMS & LOTIONS 0.01-0.05; AND PERFUME 0.04-0.2%. /FROM TABLE/|ETHYL AMYL KETONE WAS GRANTED GRAS STATUS BY FEMA (1965). THE COUNCIL OF EUROPE (1970) INCLUDED ETHYL AMYL KETONE IN THE LIST OF TEMPORARILY ADMISSIBLE ARTIFICIAL FLAVORING SUBSTANCES.

GAS CHROMATOGRAPHY WAS USED FOR THE SEPARATION OF GAMMA-TERPINENE FROM 3-OCTANONE.|3-Octanone was analyzed in nectarines using capillary gas chromatography and gas chromatography-mass spectrometry following vacuum distillation and solvent extraction of the fruit pulp and skin.|3-Octanone was measured as a volatile component of a household floor wax using tenax cartridges for collection and analysis by GC/MS with parallel FID and MS detection.|3-Octanone was measured in soil VOCs following a stripping technique and subsequent analysis by GC/MS.

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Flavoring Agents