2-Octanone

128.21

128.21

635843

203-837-1

J2G84H29AF

5936|3712

DTXSID4021927

Colorless liquid

29141990

17.1

2.4

Clear colorless to very slightly yellow Liquid

0.820 g/cm³ @ Temp: 20 °C

-16 °C

172-173 °C

133 °F

n 20/D 1.416(lit.)

H2O: 0.9 g/L

Store below +30°C.

1.35 mm Hg at 25 deg C

4.4 (Air = 1)

Abdominal injection-rat LD50: 800 mg/kg; Oral-mouse LD50: 3824 mg/kg

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

FATTY, GREEN CHEESE AROMA

Camphor taste

1.10e-11 cm3/molecule*sec

1.88e-04 atm-m3/mole|Henry's Law constant = 1.99X10-4 atm-cu m/mol at 25 °C

Acid value: 0.9 max; forms azeotropes with d-limonene (57%), phenol (32%), phenethyl alcohol (5%), o-cresol (12%); forms azeotropes with ethylene glycol (76%), cineol (55%)|Max vapor concn 1550 ppm at 20 °C; 5.24 mg/cu m= 1 ppm; 191 ppm= 1 mg/L|Distillation range 166-173 °C|Hydroxyl radical reaction rate constant = 1.10X10-11 cu cm/molec-sec at 35 °C

-1207.01 at 25 °C (liquid), standard state

12.4/dyne cm at 25 °C

III

3

UN 1224 3/PG 3

1

21-10

36/37-16

RH1484000

Xn

Completely packed, lightly placed; storeroom ventilated, away from open flames, high temperature, and stored separately from oxidants

Stable. Incompatible with strong oxidizing agents. Flammable.

P280

H226-H312

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.

2-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: 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.

UN 1224

|Warning|H226 (99.78%): 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 1852 companies from 14 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning 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

Flammable liquid when exposed to heat, flame, or oxidizers.

To fight fire, use foam, alcohol foam.|Alcohol foam.

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.

2-Octanone has a relatively low toxicity. Direct skin contact may cause defatting and irritation of the skin. Inhalation may produce mild symptoms of eye, nose, and throat irritation at low concentrations, and may cause /CNS depression/ at high concentrations.

| 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-Octanone was detected in the volatile emissions of a liquid floor wax and a liquid wax for marble, ceramic, and linoleum at unreported concentrations(1). Volatile fractions from fresh and used machine cutting-fluid emulsion contained 2-octanone at 0.114 and 0.540 ug/g, respectively(2). Process water from in situ coal gasification (at 29 ppb), aqueous condensate from low-Btu gasification of coal (at 188 ppb), and Omega-9 retort water from in situ oil shale processing (at 126 ppb) contained 2-octanone(3). 2-Octanone was detected but not quantified in the emissions of building materials with microbial growth(4).

INDOOR: 2-Octanone was detected but not quantified in 5 of 44 emission samples from furniture(1).

moderately toxic

The conduction velocity of motor and sensory fibers of the tail in rats were not affected following repeated subcutaneous injections of 2-octanone alone, but injections of 2-octanone together with MnBK (methyl n-butyl ketone) significantly enhanced the neurotoxic effect seen with MnBK alone.|The effect of aliphatic nontoxic ketones on the neurotoxicity of methyl-n-butyl-ketone was studied in rats. Male Donryu-rats were exposed to methyl-n-butyl-ketone alone or in combination with methylethyl-ketone, methyl-n-propyl-ketone, methyl-n-amyl-ketone, or methyl-n-hexyl-ketone. Each ketone was injected subcutaneously in equimolar doses of 4 millimoles per kilogram, once daily, five days a week for 20 weeks. The animals were weighed biweekly and observed for signs of neurotoxicity. Maximum motor fiber conduction velocity and distal latency were measured every two weeks in the tail nerves. All treated animals showed significant decreases in body weights, relative to controls. Animals treated with methyl-n-butyl-ketone plus methyl-n-propyl-ketone, methyl-n-amyl-ketone, and methyl-n-hexyl-ketone showed greater weight decreases than those treated with methyl-n-butyl-ketone alone. Treated animals showed weakness in the hind legs. Hind leg weakness was more severe in rats treated with the combined ketone doses than with methyl-n-butyl-ketone alone. All the ketones enhanced the neurotoxicity of methyl-n-butyl-ketone as measured by decreased motor conduction velocities and prolonged distal latencies of the tail nerve. Methyl-n-hexyl-ketone had the greatest potentiating effect on methyl-n-butyl-ketone. The authors note that methyl-n-hexyl-ketone had the longest carbon chain. They suggest that the lengths of the carbon chain of the aliphatic ketones is directly related to their abilities to potentiate methyl-n-butyl-ketone neurotoxicity.

LD50 Rat oral 9 mg/kg /from table/|LD50 Rat oral >5 g/kg|LD50 Rat ip 800 mg/kg|LD50 Mouse oral 1.6 g/kg|LD50 Mouse ip 1600 mg/kg

REPORTED FOUND IN SMALL QUANTITIES IN THE ESSENTIAL OIL OF RUTA MONTANA L AND IN A FEW VARIETIES OF BANANA AND CITRUS FRUITS.

2-Octanone's production and use as a fragrance and flavoring ingredient, as a high-boiling solvent, in leather finishes, as an odorant, and as an anti-blushing agent for nitrocellulose lacquers(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 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to have moderate mobility in soil(SRC). Aerobic biodegradation of this compound is expected. 2-Octanone, inoculated with acclimated sludge, had BOD values from 33%(4) to 48%(5,6) of the theoretical oxygen demand after 5 days incubation. Volatilization of 2-octanone from moist soil surfaces in expected to be an important fate process(SRC) given a Henry's Law constant of 1.88X10-4 atm-cu m/mole(7). 2-Octanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.35 mm Hg(8). Theoretical BOD values of 33%(8) and 48%(9) suggest that biodegradation may occur in soil(SRC).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to adsorb to suspended solids and sediment(SRC). In water, 2-octanone has a measured volatilization flux of 40 g/min/sq m; some attenuation of this process is expected due to the gas-film interface(4). A measured Henry's Law constant of 1.88X10-4 atm-cu m/mole(5) also indicates that this compound will volatilize from water surfaces. Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 6 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 13(SRC), from its log Kow(2), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. 2-Octanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Theoretical BOD values of 33%(8) and 48%(9,10) suggest that biodegradation may occur in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-octanone, which has a vapor pressure of 1.35 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-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 1.6 days(3). 2-Octanone does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

The rate constant for the vapor-phase reaction of 2-octanone with photochemically-produced hydroxyl radicals has been experimentally determined as 1.0X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 1.6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2-Octanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 2-Octanone does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(1).

An estimated BCF value of 13 was calculated for 2-octanone(SRC), using a log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF value suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of 2-octanone is estimated as 460(SRC), using a measured log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-octanone is expected to have moderate mobility in soil(SRC).

The Henry's Law constant for 2-octanone was measured as 1.88X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-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 5 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). In water, 2-octanone had a measured volatilization flux of 40 g/min/sq m and a gas-film coefficient ratio of 0.554 at 20 °C, indicating that volatilization from water does occur but that some attenuation of this process may be seen due to the gas-film interface(4). 2-Octanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Octanone is expected to volatilize from dry soil surfaces(SRC), based upon a vapor pressure of 1.35 mm Hg(3).

DRINKING WATER: 2-Octanone was detected, not quantified in finished drinking water from Poplarville, Mississippi (sampled 3/2/79), Cincinnati, OH (sampled 10/17/78 and 1/14/80), and Seattle, WA (sampled 11/5/76)(1).

2-Octanone is present, at unreported concentrations, as a volatile component of aroma of cooked beef, mutton, chicken, and pork(1). 2-Octanone was identified in the volatile components of clam and corbicula(2), and raw beef(3). 2-Octanone was identified in Beaufort cheese(4), blue cheese(5), roasted filberts(6), and in peanut oil, heated to 200 °C, at unreported concentrations(7). 2-Octanone was isolated as a volatile component of duck meat (0.08 ppb), duck fat (0.91 ppb), Cantonese style roasted duck (trace) and Cantonese style roasted duck gravy (trace)(8). 2-Octanone was detected in whole and ground musty sorghum with direct helium-purge method, and detected in ground musty sorghum with supercritical fluid extraction(9).2-Octanone was reported in concentrations of 73.9 ug/kg to 86.7 ug/kg in fermented soybean (Glycine max) curd(10). The lipid fraction of raw beef contained unreported concentrations of 2-octanone(11). 2-Octanone was measured at 25.7 ng/g in hair tail viscera fish paste(12).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 5,215 workers (276 of these are female) are potentially exposed to 2-octanone in the USA(1). Exposure to 2-octanone may occur occupationally during its production or use in the manufacture of other products. The general population may be exposed through the ingestion of foods, exposure to floor lacquers, furniture finishes and other items containing this compound(SRC).

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/ Tested at 4% in petrolatum, it produced no irritation after a 48 hour closed-patch test on human subjects ... and no sensitization reactions ...|/SIGNS AND SYMPTOMS/ 2-Octanone has a relatively low toxicity. Direct skin contact may cause defatting and irritation of the skin. Inhalation may produce mild symptoms of eye, nose, and throat irritation at low concentrations, and may cause /CNS depression/ at high concentrations.

2-octanone

ASSAY: 98% MINIMUM

2-Octanone: ACTIVE|Baked goods, 252.9 ppm; Cheese 333.5 ppm; Frozen dairy, 23.50 ppm; Condiment, relish, 1.0 ppm; Softcandy, 16.67 ppm; Gelatin, pudding 15.04 ppm; Snack foods, 2.00 ppm; Non-alcoholic beverages, 7.00 ppm; Alcoholic beverages, 0.10 ppm.|CONCN IN FINAL PRODUCT (%): SOAP: USUAL 0.01, MAX 0.1; DETERGENT: USUAL 0.003, MAX 0.01; CREAMS, LOTIONS: USUAL 0.005, MAX 0.02; PERFUME: USUAL 0.04, MAX 0.4.|THE COUNCIL OF EUROPE (1974) INCLUDED METHYL HEXYL KETONE AT A LEVEL OF 2 PPM IN THE LIST OF ARTIFICIAL FLAVORING SUBSTANCES THAT MAY BE ADDED TO FOODSTUFFS WITHOUT HAZARD TO PUBLIC HEALTH.

2-Octanone was analyzed in natural waters using GC/MS.|2-Octanone was measured in machine cutting-fluid emulsion following steam-distillation and vacuum distillation and analysis by GC/MS using a fused silica capillary column.

DETERMINATION OF ALCOHOLS INCL 2-OCTANONE BY GAS-LIQUID CHROMATOGRAPHY IS DESCRIBED. ALCOHOLIC METABOLITES FROM RABBIT LIVER SUPERNATANT FRACTIONS WERE DETERMINED.

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

Flavoring Agents