Isophorone

138.21

138.21

201-126-0

2BR99VR6WA

0169

403657|4881

1993

DTXSID8020759

Water-white liquid|Colorless to white-liquid.|Clear liquid

29142900

17.1

1.6

Isophorone appears as a clear colorless liquid, with a camphor-like odor. Less dense than water and insoluble in water. Boiling point 420°F. Flash point near 200°F. Contact irritates skin and eyes. Toxic by ingestion. Used as a solvent and in pesticides.

0.9255 g/cm³ @ Temp: 20 °C

-8.1 °C

215.32 °C

184°F

1.476

Soluble in water (12g/L).

store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.

0.2 mm Hg ( 20 °C)

4.77

LD50 in male, female rats and male mice (mg/kg): 2700 ±200, 2100 ±200, 2200 ±200 orally (PB90-180225)

Class IIIA Combustible Liquid: Fl.P. at or above 140°F and below 200°F.

Explosive limits , vol% in air: 0.8-3.8

Peppermint-like odor

CONVERSION FACTORS: 1 PPM= 5.65 MG/CU M; 1 MG/L= 177 PPM|1 mg/cu m = 0.18 ppm; 1 ppm = 5.65 mg/cu m

Insoluble in water.

Ketones

Peroxidizable Compound

Ketones, such as ISOPHORONE, 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. Forms explosive peroxides

Isophorone|D: Other compounds that may form peroxides|Kelly, Cameo

864 °F (USCG, 1999)|860 °F; 460 °C|460 °C

-16,170 BTU/lb= -8,980 cal/g= -376x10+5 J/kg

9.07 eV

Lower 0.8% by vol; upper 3.8%|Class IIIA Combustible Liquid: Fl.P. at or above 140°F and below 200°F.

43.4 kJ/mol

1993

1

21/22-36/37-40

13-23-36/37/39-46

GW7700000

Xn

Separated from strong oxidants, strong bases and amines.

Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P322, P330, P337+P313, P363, P403+P233, P405, P501

H302

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.|The following wastewater treatment technologies have been investigated for Isophorone. Concentration process: Biological treatment.|The following wastewater treatment technologies have been investigated for Isophorone. Concentration process: Solvent extraction.|The following wastewater treatment technologies have been investigated for Isophorone. Concentration process: Activated carbon.|Spray into incinerator or burn in paper packaging. Additional flammable solvent may be added.

Incompatible with strong oxidizers|Oxidizers, strong alkalis, amines.

Isophorone is listed as an indirect food additive for use only as a component of adhesives.

USEPA; Ambient Water Quality Criteria Doc: Isophorone (1980) EPA 440/5-80-056|USEPA; Health and Environmental Effects Profile for Isophorone (1986) ECAO-CIN-P162|DHHS/ATSDR; Toxicological Profile for Isophorone (1989) ATSDR/TP-89/15|DHHS/NTP; Toxicology & Carcinogenesis Studies of Isophorone in F344/N Rats and B6C3F1 Mice (Gavage Studies) Technical Report Series No. 291 (1986) NIH Publication No. 86-2547

Combustible. (USCG, 1999)|Combustible. Above 84 °C explosive vapour/air mixtures may be formed.|Carcinogens, Flammable - 2nd degree, Reactive - 1st degree

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P322, P330, P337+P313, P363, P403+P233, P405, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 2333 companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P201, P202, P210, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P322, P330, P332+P313, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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. Provide: Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection. (NIOSH, 2016)|... Wear appropriate chemical protective gloves, boots and goggles.|Wear appropriate personal protective clothing to prevent skin contact.|Wear appropriate eye protection to prevent eye contact.|Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection|For more Personal Protective Equipment (PPE) (Complete) data for ISOPHORONE (9 total), please visit the HSDB record page.|(See protection codes)

Flammable & explosive when exposed to heat or flame.

Flammable & explosive when exposed to heat or flame.|lower explosive limit: 0.8% upper explosive limit: 3.8%|Explosive limits , vol% in air: 0.8-3.8

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, dry chemical or carbon dioxide.|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 be ineffective. 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.|Use water spray to keep fire exposed containers cool. Use flooding quantities of water as fog or spray, dry chemical, foam, or carbon dioxide.

If leak or spill has not ignited, use water spray to disperse vapors & to protect men attempting to stop leak.|Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surfact flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or comercial sorbents.|Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.|Environmental considerations: Air spill: Apply water spray or mist ot knock kown vapors.

Irrigate eyes with water. Wash skin with abundant quantities of 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.|SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.|Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.|For more Preventive Measures (Complete) data for ISOPHORONE (7 total), please visit the HSDB record page.

... HUMAN VOLUNTEERS EXPOSED AT 40, 85, 200 & 400 PPM ISOPHORONE EXPERIENCED EYE, NOSE, & THROAT IRRITATION.|Irritates and burns eyes, nose, mucous membranes, respiratory tract.|Isophorone vapor (25 ppm) produced irritation to the eyes, nose, and throats of unacclimatized volunteers.

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 25 ppm (140 mg/cu m).

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 4 ppm (23 mg/cu m).

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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.

Separated from strong oxidants, strong bases and amines.

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

The substance and the vapour are irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system.

NO open flames. Above 84 °C use a closed system and ventilation.

PREVENT GENERATION OF MISTS!

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isophorone is produced, as an intermediate or a final product, by process units covered under this subpart.|Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Isophorone is included on this list.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 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.| 1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures.

Isophorone is a clear liquid that smells like peppermint. It can be dissolved in water and evaporates somewhat faster than water. It is an industrial chemical used as a solvent in some printing inks, paints, lacquers, and adhesives. It is also used as an intermediate in the production of certain chemicals. Although isophorone is an industrial chemical, it also occurs naturally in cranberries.|Isophorone is a widely used solvent and chemical intermediate. The acute (short-term) effects of isophorone in humans from inhalation exposure include eye, nose, and throat irritation. Chronic (long- term) exposure to isophorone in humans can cause dizziness, fatigue, and depression. Animal studies indicate that long-term inhalation of high concentrations of isophorone causes central nervous system effects. Limited evidence in animal studies suggests that isophorone may cause birth defects such as fetal malformations and growth retardation from inhalation exposure to isophorone during pregnancy. No information is available on the reproductive, developmental, or carcinogenic effects of isophorone in humans. EPA has classified isophorone as a Group C, possible human carcinogen.

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

According to the USEPA STORET Data Base, of 1272 effluent samples, 1.6% tested positive for isophorone, with a median concn of <10.0 ug/l(1). Isophorone has been found in the treated wastewater from the following industries: iron and steel mfg, 1 of 5 samples pos, concn 170 ug/l; coil coating, 5 of 31 samples pos, max concn 560 ug/l, mean concn 120 ug/l; foundries, 7 of 7 samples pos, max concn 28 ug/l, mean concn 12 ug/l; photographic equipment and supplies, 2/4 samples pos, max concn 10 ug/l, mean concn 10 ug/l; paint and ink formulation, 1 of 1 samples pos, concn <7 ug/l; automobile tire plant, 40 ug/l; and oil shale retorting, 340-5800 ug/l(2-4). The influent and effluent of the Philadelphia (PA) Northeast Sewage Treatment plant during Aug 1977 were 100 and 10 ug/l, respectively(5). Isophorone was tested for but not detected (detection limit of 1.0 ug/l) in tire leachates from tire plugs soaked 31 days in fresh water from Lake Mead, NV(6). Analysis of New York City municipal wastewaters was conducted from 1989 to 1993(7). Isophorone was detected once in 1989 and 1991 in influent samples at a concn of 5 ug/l (2% detection), and in a 1991 effluent sample at a concn of 8 ug/l (1% detection)(7). The compound was detected at a concn of 10.4 ug/l in leachate from a municipal landfill in Japan(8). According to a Danish study, isophorone was detected not quantified in waste exudate analysis of garden waste(9). Municipal landfill leachate concn of isphorone as reported in the literature range from a low of 3.18 pg/l to 16 mg/l, detected in 13 of 26 samples at a median concn of 76 ug/l(10). Isophorone has been detected in the effluents from latex and chemical plants in Alabama, but no levels were reported.

SEDIMENT: Isophorone was qualitatively identified in sediment/soil/water samples taken from Love Canal in Niagara Falls, NY during 1980(1). According to the USEPA STORET Data Base, of 318 sediment samples tested, 0% were positive for isophorone(2). The compound was detected in sediments taken from Lake Pontchartrain (LA), concn range 0.98-12 ng/g (ppb) dry wt(3).

SOURCE DOMINATED: Isophorone has been detected in coal fly ash at a concentration of 490 ug/g(1).

Isophorone is present in printer's inks used for serigraphy, concn not specified(1).

IDENTIFICATION: Isophorone is a colorless liquid with a peppermint like odor. It is soluble in water and miscible with most organic solvents. HUMAN EXPOSURE: The odor of isophorone can be detected at low concentrations. Eye, nose and throat irritation has been observed along with nausea, headache, dizziness, faintness and inebriation. Dermal and inhalation exposure may occur along with oral exposure from drinking water. ANIMAL STUDIES: Distribution studies in rats using (14)C isophorone showed that 93% of orally administered radioactivity appeared mainly in the urine and expired air within 24 hr. The tissues retaining the highest concentration after this period were the liver, kidney and preputial glands. The metabolites from oral administration of isophorone identified in rabbit urine resulted from the oxidation of the 3-methyl group, reduction of the keto group and hydrogenation of the double bond of the cyclohexene ring, and were eliminated as such or as glucuronide derivatives in the case of the alcohols. In animal studies, data indicate that isophorone is rapidly absorbed through the skin. Acute effects from dermal exposure in rats and rabbits ranged from mild erythema to scabs. Conjunctivitis and corneal damage have been reported following direct application to the eye or exposure to high concentrations of isophorone. In acute and short-term oral studies on rodents at high doses degenerative effects were seen in the liver and CNS depression and some deaths. In a 90 day oral study in beagle dogs (with limited numbers) no effects were seen at doses up to 150 mg/kg body weight per day. Isophorone does not induce gene mutations in bacteria, chromosomal aberrations in vitro, DNA repair in primary rat hepatocytes, or bone marrow micronuclei in mice. Positive effects were observed only in the absence of an exogenous metabolic system in L5178YTK +/- mouse mutagenesis assays as well as in a sister chromatid exchange assay. Isophorone induced morphological transformation in vitro in the absence of an exogenous metabolism system. It did not induce sex linked recessive lethal mutations in Drosophilia. In long term oral toxicity studies in mice and rats, male rats showed several lesions of the kidney, including nephropathy, tubular cell hyperplasia and low incidence of tubular cell adenomas and adenocarcinomas. Isophorone exposure was associated with some neoplastic lesions of the liver, and the integumentary and lymphoreticular systems of male mice, as well non-neoplastic liver and adrenal cortex lesions, but this was not observed in female mice. In /one/ long term inhalation study in rats and rabbits, irritation to eye and nasal mucosa, and lung and liver changes were observed. Very limited studies in rats and mice indicate that isophorone does not affect fertility nor does it cause developmental toxicity in experimental animals. The fact that central nervous system depression occurs in experimental animals could indicate a positive neurotoxic effect. Isophorone also elicited a positive effect in the behavioral despair swimming test. No data on terrestrial animals were available. The available data suggest that isophorone has a low toxicity to aquatic organisms.

Joint toxic action of isophorone with 26 industrial liquid chemicals was examined based on acute LD50 data from oral intubations of female albino rats. ... LD50s were determined for each of the cmpds. Based on the assumption of simple similar action, isophorone exhibited >additive toxicity in combination with 9 cmpds & additive toxicity. An equitoxic mixture was defined as a mixture of chemicals in volumes directly proportional to their respective rat oral LD50 values, so that each component contributed the same degree of toxicity to the mixture.|... /It was/ reported that inhalation of isophorone for 4 hr by mice increased the threshold for onset of seizures produced by iv admin of pentrazole ... .

LD50 Rat oral 1000-3450 mg/kg.|LC50 Rabbit dermal 1380 mg/kg|LC50 Rat inhalation 7000 mg/cu m/4 hr|LD50 Mouse oral 2.0 g/kg|For more Non-Human Toxicity Values (Complete) data for ISOPHORONE (10 total), please visit the HSDB record page.

Toxicology and carcinogenesis studies of isophorone > 94% pure, a widely used solvent and chem intermediate, were conducted by administering 0, 250, or 500 mg isophorone/kg/day by gavage in corn oil to groups of 50 rats and 50 mice of each sex, 5 days/wk for 103 wk. Doses selected for the 2 yr studies were based on 16 day studies in which rats and mice of each sex received doses of 0-2000 mg/kg/day and on 13 wk studies in which rats and mice of each sex received doses ranging from 0 to 1000 mg/kg/day by gavage in corn oil. No chemically related gross or histopathologic effects were observed in the 16 day or 13 wk studied, but 1/5 high-dose male rats, 4/5 high-dose female rats, and all high-dose female mice died. The high dose for the 2 yr studies was set at 500 mg/kg/day for each sex of rats and mice, based mainly on the deaths in the 13 wk studies. Throughout the 2 yr study, the mean body weights of the high-dose male rats averaged 5% lower than those of the vehicle controls. During the second year, the mean body wts of the female high-dose rats averaged 8% lower than those of the vehicle controls, and the high-dose female mice averaged 5% lower. The survival of male mice was also low (16/50; 16/50; 19/50), but there was a significant trend toward increased survival of dosed female mice relative to that of the vehicle controls (26/50; 35/50; 34/50). Dosed male rats showed a variety of proliferative lesions of the kidney ... . Dosed male rats also exhibited increased mineralization of the medullary collecting ducts ... and low-dose male rats showed a more severe nephropathy than is commonly seen in aging rats. Carcinomas of the preputial gland were increased in high-dose male rats ... . With the exception of a moderate increase in nephropathy, ... female rats did not show chem related increased incidences of neoplastic or nonneoplastic lesions. In high-dose male mice, isophorone exposure was associated with increased incidences of hepatocellular adenomas and carcinomas. An increased incidence of lymphomas or leukemias was noted in low-dose male mice.

There are no known natural sources of isophorone(1).

Isophorone's production and use as a solvent for printing inks, lacquers, adhesives(1), and use as a chemical intermediate(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 200(SRC), determined from a log Kow of 1.70(2), indicates that isophorone is expected to have moderate mobility in soil(SRC). Volatilization of isophorone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.6X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 0.438 mm Hg(3), and water solubility, 12,000 mg/l(4). Isophorone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Biodegradation is not expected to be an important environmental fate process in soil based upon a 3% theoretical BOD in 2 weeks using an activated sludge inoculum and the Japanese MITI test(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 200(SRC), determined from a log Kow of 1.70(2), indicates that isophorone is not expected to adsorb strongly to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 6.6X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 0.438 mm Hg(4), and water solubility, 12,000 mg/l(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 and 52 days, respectively(SRC). According to a classification scheme(6), a BCF of 7(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is not expected to be an important environmental fate process in water based upon a 3% theoretical BOD in 2 weeks using an activated sludge inoculum and the Japanese MITI test(7).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isophorone, which has a vapor pressure of 0.438 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isophorone 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 5 hrs(SRC), calculated from its rate constant of 8.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

The rate constant for the vapor-phase reaction of isophorone with photochemically-produced hydroxyl radicals has been estimated as 8.1X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Isophorone is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2-4) nor to undergo direct photolysis due to the lack of absorption in the environmental UV spectrum (>290 nm)(5). The rate constant for the vapor-phase reaction of isophorone with ozone has been estimated as 7.4X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(6).

2.00|A BCF of 7 was measured for isophorone in bluegill sunfish(1). The half-life of isophorone in fish tissue was found to be 1 day(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

25.12 L/kg|The Koc of isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate mobility in soil.

The Henry's Law constant for isophorone is estimated as 6.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 0.438 mm Hg(1), and water solubility, 12,000 mg/l(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)(3) is estimated as 7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 52 days(SRC). Isophorone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isophorone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

... EPA maintains an inventory of organic compounds that have been isolated and identified in drinking water in the USA. ... Isophorone was ... detected at concentrations as high as 9.5 ug/l.|GROUNDWATER: Isophorone was detected in groundwater samples collected from the Netherlands at a maximum concn of 10 ug/l(1).|DRINKING WATER: Isophorone was identified in finished drinking water from: Cincinnati, OH - Oct 1978 and Jan 1980; Philadelphia, PA - Feb 1976; Ottumwa, IA - Sept 1976; and Seattle, WA - Nov 1976(1). During the USEPA 1974 National Organics Reconnaissance Survey (NORS) isophorone was detected in 1 of 10 finished drinking water supplies(2). Approximately 0.02 ug/l was found in drinking water from Cincinnati, OH(2). Trace levels were detected in Philadelpha, PA drinking water during Aug 1977(3). The compound was detected in drinking water from New Orleans, LA during 1974, with a max concn of 2.9 ug/l(4).|SURFACE WATER: Data from the USEPA STORET Data Base indicates that of 795 water samples, 1% tested positive for isophorone with a median concn of <10 ug/l(1). During Aug 1977 in the Delaware River, Pennsylvania at river mile 106, 108, and 110, isophorone concentrations were found to be 3, 0.6 and <0.01 ug/l, respectively(2). Isophorone was detected in the St. Joseph River, Michigan and not detected in the Cuyahoga River, Ohio(3). USEPA National Urban Runoff Program (NURP) results as of July 1982 indicate that isophorone was found in runoff in 1 of 19 cities across USA(4). 10 ug/l was detected in urban runoff of Washington, DC(4). Samples collected on the St. Lawrence River in the region of Quebec, Canada in June, 1987 contained isophorone at a conc of 69 ng/l(5).

Isophorone was detected in apricots (Prunus armeniaca) and plums (Prunus salicina, Lindl.) at 17, 4, an 11 mg/kg in 3 of 3 apricots and at 1 mg/kg in 1 of 2 plums(1).

Certain occupations (particularly individuals who are exposed to isophorone as a solvent) have elevated levels of exposure relative to the general population.|NIOSH (NOES Survey 1981-1983) has statistically estimated that 47,097 workers (10,353 of these are female) are potentially exposed to isophorone in the US(1). Occupational exposure to isophorone may occur through inhalation and dermal contact with this compound at workplaces where isophorone is produced or used(SRC). Monitoring data indicate that the general population may be exposed to isophorone via ingestion of contaminated drinking water(SRC).|Concentration of isophorone in breathing zone samples from an isophorone manufacturing plant (Exxon Chemical) were reported to range from 0.01-0.63 ppm, mean concn 0.07 ppm(1). Time-weighted average (TWA) concentration in breathing zones and workplace air of a screen printing plant ranged from 8.3-23 ppm and 3.5-14.5 ppm, respectively(2). Up to 25.7 ppm was detected in air of a silk screen printing plant in Pittsburgh, PA(3). Concentration of isophorone in breathing zone samples from a decal manufacturing plant in Ridgefield, NJ was 0.7-14 ppm(4).|The occupational exposures to isophorone occur by inhalation or dermal contact & mainly occur in the printing industry.

The demonstrated toxicity of isophorone by oral, inhalation, and dermal exposures indicates that it is capable of passage across epithelial membranes.|Rabbits and rats treated orally with isophorone excreted unchanged isophorone in the expired air and in the urine.|Preliminary results of a pharmacokinetic study indicate that rats treated orally with 14C-isophorone excreted 93% of the radiolabel in the urine, expired air & feces in 24 hr. The majority was found in the urine indicating that isophorone was well absorbed. The wide distribution of isophorone in the organs of rats & a rabbit 1-5 hr after dosing by gavage with 4000 mg/kg indicates rapid GI absorption. In two rabbits given a gavage dose of 1000 mg/kg isophorone, a blood level of isophorone of 102 ug/L was found within 10 min. The level increased to 141 ug/L in 30 min & declined to < or = 0.05 ug/L in 21 hr. The results indicate rapid absorption & elimination. The detection of unchanged isophorone & its metabolites in the urine & the observations of systemic toxicity & carcinogenicity in animals exposed orally to isophorone provide qualitative evidence that isophorone is absorbed after oral exposure.|In rats exposed to 400 ppm isophorone for 4 hr & sacrificed immediately after exposure or 1.5 or 3 hr after exposure, levels of isophorone were highest in all tissues examined (brain, lungs, heart, stomach, liver, spleen, pancreas, kidney, adrenals, testicles, & ovaries) immediately after exposure. Levels ranged from 1.5-74 ug/g tissue wet weight. The levels declined rapidly in males but declined very little in females by 3 hr after exposure.|Radiolabel was widely distributed in male rats 24 hr after an oral dose of 14C-isophorone in corn oil, with highest levels in the liver, kidney, preputial gland, testes, brain, & lungs. Isophorone was widely distributed to the tissues of rats & a rabbit following treatment with isophorone at a gavage dose of 4000 mg/kg. The rats died within 1-5 hr & the rabbit died within an hr after dosing at which times the tissues were sampled for analysis. in rats, tissue levels of isophorone in ug/g tissue wet weight were as follows: stomach-6213, pancreas-2388, adrenals-1513, spleen-1038, liver-613, brain-378, lung-383, heart-387, kidney-465, testes-275, & ovaries-471. In the rabbit, tissue levels were as follows: stomach-5395, adrenals-1145, ovaries-3000, spleen-545, liver-515, kidney-295, heart-260, & lungs-50.

... ISOPHORONE IS METABOLIZED IN RABBITS INTO 5,5-DIMETHYLCYCLOHEX-1-EN-3-ONE-1-CARBOXYLIC ACID, WHICH IS EXCRETED IN URINE AS ESTER GLUCURONIDE.|AFTER ORAL ADMIN OF 1 G/KG ALPHA-ISOPHORONE, RABBIT & RAT URINE CONTAINED ALPHA-ISOPHORONE, ISOPHOROL, CIS-3,5,5-TRIMETHYLCYCLOHEXANOL, TRANS-3,5,5-TRIMETHYLCYCLOHEXANOL, DIHYDROISOPHORONE, 5,5-DIMETHYLCYCLOHEX-1-EN-3-ONE-1-CARBOXYLIC ACID, & DIHYDROISOPHORONE GLUCURONIDE.|The allylic methyl group of isophorone was oxidized to a carboxylic acid group when industrial isophorone was administered orally to rabbits. The product was detected in urine and no other products were identified.|Rabbits & rats treated orally with isophorone excreted unchanged isophorone in the expired air & in the urine. The urine also contained 3-carboxy-5,5-dimethyl-2-cyclohexene-1-one & glucuronic conjugates of 3,3,5-trimethyl-2-cyclohexene-1-ol (isophorol), 3,5,5,-trimethylcyclohexanone (dihydroisophorone), & cis- & trans-3,5,5-trimethylcyclohexanols. Rat urine contained more dihydroisophorone & less isophorol than did rabbit urine. ... /It was/ proposed that metab of isophorone involves methyloxidation to 3-carboxy-5,5-dimethyl-2-cyclohexene-1-one, reduction of the ketone group to isophorol, reduction of the ring double bond to dihydroisophorone, & dismutation of dihydroisophorone to cis- & trans-3,5,5-trimethylcyclohexanols.

0.05 Days

It usually contains 1-3% of the isomeric beta-isophorone (3,5,5-trimethyl-3-cyclohexen-1-one).|COMMERCIAL ISOPHORONE USUALLY CONTAINS SOME UNCONJUGATED ISOMER (UP TO 5%) AND SMALL AMOUNTS (<1%) OF XYLITONE|Beta-isophorone 2-4%, mesitylene (1,3,5-trimethylbenzene) trace, mesityl oxide (2-methyl-2 pentene-4-one) trace, phorone (2,6-dimethyl-2, 5-heptadiene-4-one) trace, isoxylitones trace, water trace.

LIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)

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

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

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

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

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 VOLUNTEERS EXPOSED AT 40, 85, 200, & 400 PPM ISOPHORONE EXPERIENCED EYE, NOSE, & THROAT IRRITATION. A FEW COMPLAINTS OF NAUSEA, HEADACHE, DIZZINESS, FAINTNESS, INEBRIATION, & A FEELING OF SUFFOCATION RESULTED FROM 200 & 400 PPM. SYMPTOMS OF IRRITATION & ... /CNS DEPRESSION/ ACTION DECREASED @ CONCNS OF 40 & 85 PPM.|In a sensory threshold study ... twelve unconditioned subjects of both sexes were exposed to the vapors of several industrial solvents including isophorone for 15 min periods in a 1,200 cu ft chamber. They found that exposure to isophorone at 25 ppm produced irritation of the eyes, nose, & throat, & that isophorone vapor was considered by the subjects to be the most irritating of all the ketonic solvents tested. The highest tolerable level for an 8 hr isophorone exposure was judged to be 10 ppm by a majority of the subjects.|... One min exposures to 200 ppm isophorone are intolerable for humans. A concn of 40 ppm was intolerable to half of an unspecified number of human volunteers after 4 min. ... Isophorone did not cause allergic contact sensitization in any of the ten human volunteers.|NO REPORT OF SYSTEMIC POISONING ... BUT THE VAPOR IS KNOWN TO IRRITATE MUCOUS MEMBRANES.|For more Human Toxicity Excerpts (Complete) data for ISOPHORONE (7 total), please visit the HSDB record page.

diisophorone

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

irritation eyes, nose, throat; headache, nausea, dizziness, lassitude (weakness, exhaustion), malaise (vague feeling of discomfort), narcosis; dermatitis; In Animals: kidney, liver damage

Burning sensation. Sore throat. Cough. Dizziness. Headache. Nausea. Shortness of breath.

Redness. Pain. Blurred vision.

Hepatic (Liver)|Eyes, skin, respiratory system, central nervous system, liver, kidneys

Purity: 98.0% by wt., min.

Paint and coating manufacturing|2-Cyclohexen-1-one, 3,5,5-trimethyl-: ACTIVE|It is the most powerful solvent for nitrocellulose and "Vinylite" resins.

NIOSH Method 2508. Isophorone. Technique: Gas chromatography, FID. The working range for this method is 0.35 to 70 ppm (2 to 400 mg/cu m) for a 12-L air sample. Estimated limit of detection: 0.02 mg per sample.|Isophorone has been determined in water by gas chromatography and mass spectrometry.|EPA Method 609-A. Nitroaromatics and Isophorone in Wastewater by Gas Chromatography with Electron Capture Detection. Detection limit = 16.000 ug/l.|EPA Method 609-B. Nitroaromatics and Isophorone in Wastewater by Gas Chromatography with Flame Ionization Detection. Detection limit = 5.7 ug/l.|For more Analytic Laboratory Methods (Complete) data for ISOPHORONE (10 total), please visit the HSDB record page.

Hazardous Air Pollutants (HAPs)|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Carcinogens, Flammable - 2nd degree, Reactive - 1st degree

Flavoring Agents