Dioctyl terephthalate

390.55600

390.56

229-176-9

4VS908W98L

DTXSID7027625

2917399090

52.60000

6.43300

Liquid; PelletsLargeCrystals, Liquid

0.984

-48 °C

383 °C @ Press: 760 Torr

238ºC

1.489-1.491

H2O: insoluble

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

1 mm Hg ( 217 °C)

13.5 (Air = 1)

Henry's Law constant = 1.02X10-5 atm-cu m/mol at 25 °C (est)

215.81 Ų [M+Na]+

Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/|The lower esters are colorless, mobile, and highly volatile liquids that usually have pleasant odors. As the molecular mass increases, volatility decreases and the consistency becomes waxy, then solid, and eventually even brittle, often with formation of lustrous crystals. /Esters, organic/|... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/|Hydroxyl radical reaction rate constant = 2.20X10-11 cu cm/molec-sec at 25 °C (est)

NONH for all modes of transport

1

S24/25

WZ0883500

Stable under normal temperatures and pressures.

P201, P202, P273, P281, P308+P313, P405, P501

H361

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. 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 soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Not Classified

Bis(2-ethylhexyl) terephthalate's possible use in the formulation of PVC waterstops, the sealing materials used in concrete construction joints at dams, water and wastewater treatment facilities(1), may have resulted in its direct contact with water resulting in release to the environment via effluent(SRC).

Bis(2-ethylhexyl) terephthalate's production and subsequent use as a plasticizer(1) 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 2,000(SRC), determined from a water solubility of 4.0 mg/L(2) and a regression-derived equation(3), indicates that bis(2-ethylhexyl) terephthalate is expected to have slight mobility in soil(SRC). Volatilization of bis(2-ethylhexyl) terephthalate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.0X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Bis(2-ethylhexyl) terephthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.1X10-5 mm Hg(SRC), determined from a fragment constant method(5). Biodegradation data on bis(2-ethylhexyl) terephthalate were not available(SRC, 2008). However, biodegradation studies on structurally similar bis(2-ethylhexyl) phthalate was demonstrated to undergo aerobic(6) and possibly anaerobic biodegradation(7); therefore, biodegradation is likely to be an important fate process for bis(2-ethylhexyl) terephthalate(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2,000(SRC), determined from a water solubility of 4.0 mg/L(2) and a regression-derived equation(3), indicates that bis(2-ethylhexyl) terephthalate 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 1.0X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7.3 and 59 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 25(SRC), from an estimated log Kow of 8.39(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis is not expected to be an important process(SRC) based on estimated hydrolysis half-lives of 1.4 years and 51 days at pHs 7 and 8, respectively(8). Biodegradation data on bis(2-ethylhexyl) terephthalate were not available(SRC, 2008). However, biodegradation studies on structurally similar bis(2-ethylhexyl) phthalate was demonstrated to undergo aerobic(9) and possibly anaerobic biodegradation(10); therefore, biodegradation is likely to be an important fate process for bis(2-ethylhexyl) terephthalate(SRC)|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), bis(2-ethylhexyl) terephthalate, which has an estimated vapor pressure of 2.1X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase bis(2-ethylhexyl) terephthalate 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 18 hours(SRC), calculated from its rate constant of 2.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase bis(2-ethylhexyl) terephthalate may be removed from the air by wet or dry deposition(SRC). Bis(2-ethylhexyl) terephthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of bis(2-ethylhexyl) terephthalate with photochemically-produced hydroxyl radicals has been estimated as 2.2X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 18 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.16 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 1.4 years and 51 days at pH values of 7 and 8, respectively(2). Bis(2-ethylhexyl) terephthalate does contain chromophores that absorb at wavelengths >290 nm(3) and therefore may be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 25 was calculated in fish for bis(2-ethylhexyl) terephthalate(SRC), using an estimated log Kow of 8.39(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

1.45e+04 L/kg|The Koc of bis(2-ethylhexyl) terephthalate is estimated as 2,000(SRC), using a water solubility of 4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that bis(2-ethylhexyl)terephthalate is expected to have slight mobility in soil.

The Henry's Law constant for bis(2-ethylhexyl) terephthalate is estimated as 1.0X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that bis(2-ethylhexyl) terephthalate 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 7.3 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)(2) is estimated as 59 days(SRC). Bis(2-ethylhexyl) terephthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Bis(2-ethylhexyl) terephthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.1X10-5 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to bis(2-ethylhexyl) terephthalate may occur through inhalation of aerosols and dermal contact with this compound at workplaces where bis(2-ethylhexyl) terephthalate is produced or used. Use data indicate that the general population may be exposed to bis(2-ethylhexyl) terephthalate via dermal contact from products containing this compound. (SRC)

Rats readily excreted (14)C EHT given in a single dose at 100 mg/kg. 57.9%, 28.6%, and 3.6% of the (14)C was recovered in the feces, urine an expired air, respectively, within 144 hr after admin. Only 2.1% remained in the carcass.|The hydrolysis of di(2-ethylhexyl) terephthalate and di(2-ethylhexyl) phthalate were studied using rat gut homogenate fractions in vitro. Both isomers were hydrolysed by the intestinal fraction; however di(2-ethylhexyl) phthalate was hydrolysed to 2-ethylhexanol and mono(2-ethylhexyl) phthalate in about equal proportions whereas di(2-ethylhexyl) terephthalate was hydrolysed to 2-ethylhexanol and terephthalic acid. The half-lives for disappearance of the diesters were determined to be 12.6 min for di(2-ethylhexyl) phthalate and 53.3 min for di(2-ethylhexyl) terephthalate. 2. The absorption and metabolism of di(2-ethylhexyl) terephthalate were studied by administering (hexyl-(14)C)di(2-ethylhexyl) terephthalate (in corn oil) by oral gavage at a dose level of 100 mg/kg to 10 adult male Sprague Dawley rats. Urine feces and expired air were collected for 144 hr and analysed for the presence of radioactivity and feces and urine were analysed for unlabelled metabolites. 3. Radioactivity was eliminated in feces (56.5 +/- 12.1% of dose) primarily as unchanged di(2-ethylhexyl) terephthalate, small amounts of mono(2-ethylhexyl) phthalate and polar metabolites; excreted in urine (31.9 +/- 10.9% of dose) principally as mono(2-ethylhexyl) phthalate and metabolic products of 2-ethylhexanol; and expired as (14)C02 (3.6 +/-0.9% of dose). Less than 2% of the administered radioactivity was found in the carcass. Small amounts of (14)C were found in the tissues with the highest amounts found in liver and fat. 4. Metabolites identified in urine included terephthalic acid (equivalent to 51% of dose), oxidized metabolites of 2-ethylhexanol and mono(2-ethylhexyl) phthalate, and glucuronic and sulfuric acid conjugates (equivalent to about 10% of dose). 5. These findings indicate that di(2-ethylhexyl) terephthalate was hydrolysed more extensively than di(2-ethylhexyl) phthalate and consequently the urinary metabolite profiles for these two isomeric plasticizers were very different. The hydrolysis and metabolism of di(2-ethylhexyl) terephthalate were found to be similar to those of di(2-ethylhexyl) adipate in that hydrolysis of both ester bonds occurs.

1,4-DEHT

ESSENTIALLY 100% AS A PLASTICIZER & SOFTENER FOR POLYMERS

Adhesive manufacturing|1,4-Benzenedicarboxylic acid, 1,4-bis(2-ethylhexyl) ester: ACTIVE