Isobornyl acetate

196.29

196.29

3197572

204-727-6

DTXSID7042061

Colorless to very pale straw-colored liquid

29153900

26.30000

2.76430

Liquid

0.983 g/mL at 25 °C(lit.)

211-212 °C

106-107 °C @ Press: 13 Torr

190 °F

n 20/D 1.4635(lit.)

Not miscible or difficult to mix with water.

Store below +30°C.

0.13 hPa (20 °C)

LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 20000 mg/kg

Pine needles

Fresh, burning taste

Henry's Law constant = 9.52X10-5 atm-cu m/mol at 25 °C (est)

Insoluble in water at 227 °C|Hydroxyl radical reaction rate constant = 7.74X10-12 cu cm/molec-sec at 25 °C (est)

1

36/37/38-38

26-36/37/39-24/25

NP7350000

Xi

Stable. Flammable. Incompatible with strong oxidizing agents.

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|Product: This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.

Synthetic flavoring substances and adjuvants may be safely used in food 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. (b) 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. Isobornyl acetate is included on this list.

EPA; Inert Reassessment-Isobornyl Acetate (CAS Reg. No. 125-1 2-2) (July 2006);[Available from, as of July 27, 2018: https://www.epa.gov/sites/production/files/2015-04/documents/isobornyl.pdf]

Not Classified|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Eye/face protection: Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|Body Protection: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Combustible liquid.

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary. Further information: Use water spray to cool unopened containers.|Alcohol Foam.

Special hazards arising from the substance or mixture: Carbon oxides

ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. Keep in suitable, closed containers for disposal.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.|ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.|Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

| 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.

Isobornyl acetate was reported at an average concentration of 5,130 ng/L in municipal wastewater influent and an average concentration of 24 ng/L in treated effluent, following a 3-day period in September 1997 at an activated sludge treatment plant in Loveland, OH. Influent and effluent average concentrations of 2,830 and 58 ng/L, respectively, when subjected to trickling filter wastewater treatment(1).

Isobornyl acetate was detected not qunatified in emissions from pine-scented plug-in air fresheners(1).

IDENTIFICATION AND USE: Isobornyl acetate is used in soaps, detergents, creams and lotions and perfumes. HUMAN STUDIES: A maximization test was carried out on 25 volunteers. The material was tested at a concentration of 10% and produced no sensitization reactions. ANIMAL STUDIES: Isobornyl acetate applied full strength to intact or abraded rabbit skin for 24 hr under occlusion was mildly irritating. Isobornyl acetate was administered daily to rats in doses of 0, 15, 90 or 270 mg/kg bw for 13 wk. Male rats had signs of nephrotoxicity at 90 mg/kg and 270 mg/kg/day, as well as signs of hepatotoxicity at 270 mg/kg. Isobornyl acetate was investigated in a 1-generation reproduction study in rats and it did not produce developmental toxicity. Increased incidences of excess salivation occurred in parent generation male and female rats at 100 and/or 300 mg/kg/d throughout the dosage period, and low incidences of urine-stained abdominal fur were seen in females at 300 mg/kg/d during the gestation period.

LD50 Rabbit dermal >20 g/kg|LD50 Rats oral >10 g/kg|LD50 Mice oral 3100 mg/kg|LD50 Rat oral 9050 mg/kg

Isobornyl acetate is reported in a wide variety of herbs and other plants(1). It is a natural emmission from pine and fir trees(2). The compound is reported as occurring in thymus, Parmesan cheese, dill herb, Ocimum basilicum, rosemary and custard apple(3).

Isobornyl acetate's production and use in toilet waters, bath preparations, antiseptics, soaps, making synthetic camphor(1) and as a flavoring agent(1,2) may result in its release to the environment through various waste streams. Its use in compounding pine needle odors and theater sprays(1) will result in its direct release to the environment(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 420(SRC), determined from a structure estimation method(2), indicates that isobornyl acetate is expected to have moderate mobility in soil(SRC). Volatilization of isobornyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Isobornyl acetate has an estimated vapor pressure of 0.11 mm Hg(2) and exists as a liquid under environmental conditions; therefore, isobornyl acetate may volatilize from dry soil. Using the OECD Biodegradability test, isoborneol acetate was biodegraded in 10 days(3), suggesting that biodegradation is an important environment fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 420(SRC), determined from a structure estimation method(2), indicates that isobornyl acetate is 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 9.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 17 hrs and 9.5 days, respectively(SRC). According to a classification scheme(4), an estimated BCF of 320(SRC), from its log Kow of 4.30(5) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Using the OECD Biodegradability test, isoborneol acetate was biodegraded in 10 days(5), suggesting that biodegradation is an important environment fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobornyl acetate, which has an estimated vapor pressure of 0.11 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobornyl acetate 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 50 hrs(SRC), calculated from its rate constant of 7.7X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Isobornyl acetate does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of isobornyl acetate with photochemically-produced hydroxyl radicals has been estimated as 7.7X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 50 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 9.5X10-2 L/mole-sec(SRC) was estimated using a structure estimation method(1); this corresponds to half-lives of 2.3 yrs and 84 days at pH values of 7 and 8, respectively(1). Isobornyl acetate does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 320 was calculated in fish for isobornyl acetate(SRC), using a log Kow of 4.30(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobornyl acetate can be estimated to be 420(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobornyl acetate is expected to moderate mobility in soil(SRC).

The Henry's Law constant for isobornyl acetate is estimated as 9.5X10-5 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that isobornyl acetate 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 17 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 9.5 days(SRC). Isobornyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC).Isobornyl acetate has an estimated vapor pressure of 0.11 mm Hg(SRC), determined from a fragment constant method(13) and exists as a liquid under environmental conditions: therefore, isobornyl acetate may volatilize from dry soil(SRC). Isobornyl acetate dissipated within one week when added along with 21 other fragrance materials to a Georgetown, DE anaerobically digested municipal sludge and applied to four soils (sandy agricultural loam, silty midwestern agrigultural loam, high organic carbon soil, and a highly weathered oxide-rich soil)(3).

Isobornyl acetate was present in frankfurters in both 30% and 5% fat content samples analyzed(1). It was tested for but not detected in headspace volatiles from frankfurters(2).

According to the 2016 TSCA Inventory Update Reporting data, 6 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of isobornyl acetate in the United States may be as low as 50 workers and as high as 100; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|Occupational exposure to isobornyl acetate may occur through inhalation and dermal contact with this compound at workplaces where isobornyl acetate is produced or used. Monitoring data indicate that the general population may be exposed to isobornyl acetate via inhalation of ambient air, ingestion of food, and dermal contact with consumer products containing isobornyl acetate. (SRC)

The percutaneous absorptions of camphene, isoborneol-acetate, limonene, menthol and alpha-pinene as constituents of a foam bath (Pinimenthol) were measured on animals using radioactively labelled ingredients. Pharmacokinetic measurements showed maximum blood levels for all tested ingredients 10 min after the onset of percutaneous absorption. None of the ingredients was preferentially absorbed. Blood levels of all ingredients after 10 min of percutaneous absorption were a direct function of the size of the skin area involved.

Isobornyl acetate readily hydrolyzes (within hours) to isobornyl alcohol during the first step of its biochemical pathway. The alcohol will become conjugated with glucoronic acid and be excreted in the urine (expected within hours to days).

A possible explanation for the nephrotoxic effects in males but not females is the accumulation of alpha-2u-globulin, a protein in the male rat kidney that appears to lead to renal tubule tumor formation.

/SRP:/ 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. /Esters and related compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilation if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye 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 ... . /Esters and related compounds/|/SRP:/ 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 ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W TKO /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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/

/HUMAN EXPOSURE STUDIES/ A maximization test (Kligman, modified) was carried out on 25 volunteers. The material was tested at a concentration of 10% and petrolatum and produced no sesitization reactions.

isobornyl acetate

All other chemical product and preparation manufacturing|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-: ACTIVE|In public use since the 1930s.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

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