2,2,4-Trimethylpentan-1,3-diol

MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ... .

TERRESTRIAL FATE: An estimated Koc value of 19(1,SRC) suggests that 2,2,4-trimethyl-1,3-pentanediol will leach readily in soil(SRC).

AQUATIC FATE: Volatilization from water is slow; the volatilization half-lives from a model environmental river (1 meter deep) and model pond have been estimated to be 62 days and 1.84 years, respectively(1-2). Aquatic hydrolysis, bioconcentration and adsorption to sediment are not expected to be important fate processes(SRC).

ATMOSPHERIC FATE: Based upon an estimated vapor pressure of 0.0171 mm Hg at 25 °C(1), 2,2,4-trimethyl-1,3-pentanediol is expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2,SRC). It is degraded readily in the ambient atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 22 hr(3,SRC).

Based upon a water solubility of 19,000 mg/L at 25 °C(1), the Koc for 2,2,4-trimethyl-1,3-pentanediol can be estimated to be 19 from a regression-derived equation(2,SRC). This Koc value suggests that 2,2,4-trimethyl-1,3-pentanediol has very high soil mobility(3).

2,2,4-Trimethyl-1,3-pentanediol's use as an intermediate in the manufacture of resins, polyesters, elastomers, polyols and foams(1) could result in its release to the environment through wastewater effluents. Use as a solvent in printing inks(1) could result in evaporation to the atmosphere(SRC).

Based upon a water solubility of 19,000 mg/L at 25 °C(1), the BCF for 2,2,4-trimethyl-1,3-pentanediol can be estimated to be 2.4 from a regression-derived equation(2). This BCF value suggests that bioconcentration in aquatic organisms is not an important environmental fate process(SRC).

The Henry's Law constant for 2,2,4-trimethyl-1,3-pentanediol can be estimated to be 7.16X10-7 atm-cu m/mole at 25 °C using a structure estimation method(1,SRC). This value of Henry's Law constant indicates very slow volatilization from water(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 62 days(2,SRC). Volatilization half-life from a model environmental pond can be estimated to be about 1.84 years(3,SRC).

The rate constant ofr the vapor-phase reaction of 2,2,4-trimethyl-1,3-pentanediol with photochemically produced hydroxyl radicals has been estimated to 1.72X10-11 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 22 hrs at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Glycols are generally resistant to aqueous environmental hydrolysis(2); therefore, aqueous hydroylsis is not expected to be an important environmental fate process for 2,2,4-trimethyl-1,3-pentanediol(SRC).