Free sample butyl stearate 99.9% purity

LD50 Rat oral 32 g/kg

n-Butyl stearate's production and use as a synthetic intermediate, plasticizer, and flavoring and in cosmetics, pharmaceuticals, lubricants, and coatings(1,2) 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 39,000(SRC), determined from a structure estimation method(2), indicates that n-butyl stearate is expected to be immobile in soil(SRC). Volatilization of n-butyl stearate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.038 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). n-Butyl stearate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.8X10-6 mm Hg(4). n-Butyl stearate is expected to rapidly biodegrade in aerobic soils as suggested by the rapid biodegradation of structurally similar long-chain fatty acid esters(5-7).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 39,000(SRC), determined from a structure estimation method(2), indicates that n-butyl stearate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.038 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively(SRC), using an estimation method(3). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The volatilization half-life from a model pond is estimated to be about 64 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 12 months(5). According to a classification scheme(6), a estimated BCF of 3, from an estimated log Kow of 7.90(12) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. n-Butyl stearate is expected to rapidly biodegrade in aerobic waters as suggested by the rapid biodegradation of structurally similar long-chain fatty acid esters(8-10). An estimated base-catalyzed second-order hydrolysis rate constant of 0.024 L/mole-sec(11,SRC) corresponds to half-lives of 9 and 1 years at pH values of 7 and 8, respectively(11).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-butyl stearate, which has a vapor pressure of 5.8X10-6 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase n-butyl stearate 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 15 hours(SRC) from its estimated rate constant of 2.6X10-11 cu cm/molecule-sec at 25 °C(3). Particulate-phase n-butyl stearate may be removed from the air by wet and dry deposition(SRC).

The rate constant for the vapor-phase reaction of n-butyl stearate with photochemically-produced hydroxyl radicals has been estimated as 2.6X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 15 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.024 L/mol-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 9 and 1 years at pH values of 7 and 8, respectively(2). n-Butyl stearate is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(3).

An estimated BCF of 1 was calculated for n-butyl stearate(SRC), using an estimated log Kow of 9.70(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), the estimated BCF suggests the potential for bioconcentration in aquatic organisms is low.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for n-butyl stearate can be estimated to be about 39,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that butyl stearate is expected to be immobile in soil.

The Henry's Law constant for n-butyl stearate is estimated as 0.038 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that n-butyl stearate is expected to volatilize rapidly 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 approximately 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 approximately 7 days(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 64 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 12 months(3). n-Butyl stearate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). n-Butyl stearate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.1X10-6 mm Hg(4).

SURFACE WATER: n-Butyl stearate was qualitatively detected in surface water samples collected from Lake Pontchartrain (New Orleans, LA) in the spring of 1976(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 56,501 workers (14,513 of these are female) are potentially exposed to n-butyl stearate in the US(1). Occupational exposure to n-butyl stearate may occur through inhalation and dermal contact with this compound at workplaces where butyl stearate is produced or used(SRC). The general population may be exposed to n-butyl stearate via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound due to its use in cosmetics, pharmaceuticals, lubricants, and coatings and use as a flavoring and plasticizer(2,3). n-Butyl stearate has been used as a plasticizer for polymers used in food packaging and has been shown to migrate from the polymer to packaged or stored foods(4); therefore, the general population may be exposed to n-butyl stearate through oral consumption of foods packaged or stored in polymer containers that use n-butyl stearate as an additive(SRC).

NONE OF ... /HIGHER MOL WT ALIPHATIC ESTERS/ IS KNOWN TO PRODUCE ANY ILL EFFECTS EITHER IN INDUSTRIAL HANDLING OR IN THEIR END USES. /ALIPHATIC ESTERS/

butyl stearate