2,2,4-Trimethyl-1,3-pentanediol

146.23

146.23

205-619-1

6368

DTXSID8027113

(96% PURE) WHITE SOLID|PLATES FROM BENZENE

2905399090

40.5

1.4

PelletsLargeCrystals, OtherSolid, Liquid

0.937 g/cm³ @ Temp: 15 °C

51-52 °C

234 °C @ Press: 737 Torr

235 DEG F (113 DEG C) (OPEN CUP)

1.4513

Water solubility= 19,000 mg/l at 25 deg C

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 .

0.0171 mm Hg at 25 deg C (est)

Henry's Law constant= 7.16X10-7 atm-cu m/mole at 25 °C (est)

Heat of fusion= 8.63 kJ/mole

655 °F (346 °C)

-5050 kJ/mol

NONH for all modes of transport

1

R36/37/38

26-37/39

SA1400000

Xi

P261-P305 + P351 + P338

H302-H315-H319-H335

CAN REACT WITH OXIDIZING MATERIALS.

|Warning|H302 (20.19%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 213 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME.

To fight fire: carbon dioxide, fog, mist, dry chemical.

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

2,2,4-Trimethyl-1,3-pentanediol was qualitatively detected in water samples collected from an advanced waste treatment facility in Orange County, CA on Feb 3, 1976(1).

URBAN/SUBURBAN: 2,2,4-Trimethyl-1,3-pentanediol was detected in 3 indoor air samples at an average conc of 1.54 ppb (sampling site and date not reported)(1).

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).

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).

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).

1.00|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).

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).

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).

2,2,4-Trimethyl-1,3-pentanediol was qualitatively detected in 1 of 12 samples of human milk collected from volunteers in Bayonne, NJ, Jersey City, NJ, Bridgeville, PA, and Baton Rouge, LA(1).

2,2,4-Trimethyl-1,3-pentanediol has been identified in one human breast milk sample(1); therefore, the infant population may be exposed through breast feeding. Occupational exposure to 2,2,4-trimethyl-1,3-pentanediol can occur through dermal contact and inhalation(SRC).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 4,194 workers are potentially exposed to 2,2,4-trimethyl-1,3-pentanediol in the USA(1).

2,2,4-Trimethyl-1,3-pentanediol was qualitatively detected in 1 of 12 samples of human milk collected from volunteers in Bayonne, NJ, Jersey City, NJ, Bridgeville, PA, and Baton Rouge, LA(1).

0.05 Days

Assay (commercial grade), wt% minimum

All other basic organic chemical manufacturing|1,3-Pentanediol, 2,2,4-trimethyl-: ACTIVE

EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues