Di-isononyl-cyclohexane-1,2-dicarboxylate

422.64104

424.35526001

605-439-7

H26MNT7GT7

DTXSID8047395|DTXSID20274044

Colourless

log Kow = 9.82 (est)

0.93 g/cm3

394 °C

224 °C (COC)

In water, 8.8X10-6 mg/L at 25 °C (est)|Iin water, <0.02 mg/L

VP: 1.2X10-7 mm Hg|9.62X10-7 mm Hg at 25 °C (est)

Odorless

1.4×10-1mol/(m3Pa) at 25℃, HSDB (2015)

224.82 Ų [M+H]+

Hydroxyl radical reaction rate constant = 3.07X10-11 cu cm/molec-sec at 25 °C (est)

Sealed in dry,Room Temperature

WGK 1

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.

U.S. Consumer Product Safety Commission; Review of Exposure and Toxicity Data for Phthalate Substitutes. Diisononyl hexahydrophthalate (166412-78-8)(January 15, 2010).[Available from, as of November 5, 2012: http://www.cpsc.gov/]

LD50 Rat dermal >2000 mg/kg|LD50 Rat oral >5000 mg/kg

Diisononyl hexahydrophthalate's production and 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 3.3X10+5(SRC), determined from a structure estimation method(2), indicates that diisononyl hexahydrophthalate is expected to be immobile in soil(SRC). Volatilization of diisononyl hexahydrophthalate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.1X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Diisononyl hexahydrophthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.6X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Biodegradation data in soil were not available(SRC, 2012).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3.3X10+5(SRC), determined from a structure estimation method(2), indicates that diisononyl hexahydrophthalate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 7.1X10-6 atm-cu m/moleSRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 140(SRC), from an estimated log Kow of 9.57(6)and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradadtion data in water were not available(SRC, 2012).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisononyl hexahydrophthalate, which has an estimated vapor pressure of 9.6X10-7 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 diisononyl hexahydrophthalate 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 4 hours(SRC), calculated from its rate constant of 3.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3. Particulate-phase diisononyl hexahydrophthalate may be removed from the air by wet and dry deposition(SRC). Diisononyl hexahydrophthalate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of diisononyl hexahydrophthalate with photochemically-produced hydroxyl radicals has been estimated as 3.07X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 4 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of1.9X10-2 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 11 and 1.1 years at pH values of 7 and 8, respectively(2). Diisononyl hexahydrophthalate is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Diisononyl hexahydrophthalate 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).

An estimated BCF of 140 was calculated in fish for diisononyl hexahydrophthalate(SRC), using an estimated log Kow of 9.82(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, provided the compound is not metabolized by the organism(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of diisononyl hexahydrophthalate can be estimated to be 3.3X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that diisononyl hexahydrophthalate is expected to be immobile in soil.

The Henry's Law constant for diisononyl hexahydrophthalate is estimated as 7.1X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that diisononyl hexahydrophthalate /is expected to be essentially nonvolatile from water surfaces(2). Diisononyl hexahydrophthalate's Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Diisononyl hexahydrophthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.6X10-7 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to diisononyl hexahydrophthalate may occur through inhalation and dermal contact with this compound at workplaces where diisononyl hexahydrophthalate is produced or used. Use data indicate that the general population may be exposed to diisononyl hexahydrophthalate via dermal contact with consumer products containing diisononyl hexahydrophthalate. (SRC)

Di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH) is used as an alternative for some phthalate plasticizers. In rats, DINCH mostly eliminates in feces as cyclohexane-1,2-dicarboxylic acid (CHDA), mono isononyl ester (MINCH) or in urine as CHDA ... CHDA and MHNCH levels were higher in the urine collected 24 hr after oral than SC administration. By contrast, 48-hr after dosing, CHDA urinary levels were similar regardless of the exposure route. Researchers detected all but two of the urine metabolites also in serum. Levels of CHDA and MHNCH in serum were lower than in the two post-dose urine collections.|DINCH is rapidly absorbed after oral administration, but absorption is saturable and incomplete. Absorption was estimated to account for 40-49% of the administered dose at the low dose tested, but only 5-6% at the high dose. Absorbed DINCH does not accumulate in the tissues. ... . Absorbed DINCH is eliminated in the bile (primarily as the glucuronic acid conjugate of the monoisononyl ester) and the urine (primarily as cyclohexane dicarboxylic acid).

... DINCH was administered (500 mg/kg body weight) in a single subcutaneous (SC) or oral dose to four adult female Sprague-Dawley rats. Researchers collected 24-hr urine samples before dosing (to be used as controls) and 24-hr and 48-hr after dosing, and serum at necropsy after 48 hr. Positively identified and accurately quantified CHDA and cyclohexane-1,2-dicarboxylic acid, mono hydroxyisononyl ester (MHNCH) using authentic standards. Researchers tentatively identified MINCH and 12 oxidative metabolites, including 4 cyclohexane ring oxidation products, based on their mass spectrometric-fragmentation patterns. ...|DINCH is metabolized initially through hydrolysis to the monoisononyl ester, which can be further metabolized in 2 ways, either by conjugation to glucuronic acid or by the hydrolysis of the mono ester to cyclohexane dicarboxylic acid.

/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. /Phenols 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 ventilations 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 ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Administer activated charcoal ... . Do not use emetics. Cover skin burns with dry, sterile dressings after decontamination ... . Maintain body temperature. /Phenols 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 /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 ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... Treat seizures with diazepam or lorazepam. ... Use proparacaine hydrochloride to assist eye irrigation ... . /Phenols and related compounds/

diisononyl 1,2-cyclohexanedicarboxylic acid