Dimethyl 1,4-cyclohexanedicarboxylate

200.23

200.23

919-945-3

YS87MDS0ZV|35IVG3419I

76564

DTXSID3026566|DTXSID1029255

Partially crystalline solid|Clear colorless liquid

2917209090

52.6

1.1

OtherSolid

1.102 g/cm³

71 °C @ Solvent: Ligroine

262-263 °C @ Press: 761 Torr

115.4±18.8 °C

1.458

practically insoluble

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

1 mm Hg ( 85 °C)

6.91 (Air = 1)

Henry's Law constant = 9.7X10-8 atm-cu m/mol at 25 °C (est)

Hydroxyl radical reaction rate constant = 7.9X10-11 cu cm/molec-sec at 25 °C (est)

-4.921X10+9 J/kmol

Critical temperature: 736 deg K; critical pressure: 2.46X10+6 Pa (est)

NONH for all modes of transport

1

R38;R52/53

S37-S61

Xi:Irritant;

Stable under normal temperatures and pressures.

P305 + P351 + P338

H319

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.

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 91 companies from 5 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 12 companies from 2 notifications to the ECHA C&L Inventory.

Acute Eye Irritation/Corrosion: Not irritating to the eye.|Acute Dermal Irritation/Corrosion: Irritating

LD50 Rats (female) approx. 2812 mg/kg.|LD50 Rats (male) oral >5000 mg/kg|LD50 Rat oral 3200-6400 mg/kg

Dimethyl hexahydroterephthalate's production and use in the synthesis of polyester resins, polyamides, alkyds, plasticizers, and polyurethane coatings(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 31(SRC), determined from a structure estimation method(2), indicates that dimethyl hexahydroterephthalate is expected to have very high mobility in soil(SRC). Volatilization of dimethyl hexahydroterephthalate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 4.41X10-3 mm Hg(3), and water solubility, 1.2X10+4 mg/L(4). Volatilization from dry soil surfaces may not be an important fate process based upon its vapor pressure(SRC). Results of several biodegradation tests indicate that dimethyl hexahydroterephthalate is inherently biodegradable(5) and that biodegradation may be an important fate process in the environment(5,6).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 31(SRC), determined from a structure estimation method(2), indicates that dimethyl hexahydroterephthalate is not 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 9.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 4.41X10-3 mm Hg(4), and water solubility, 1.2X10+4 mg/L(5). According to a classification scheme(6), an estimated BCF of 11(SRC), from an estimated log Kow of 2.11(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A base-catalyzed second-order hydrolysis rate constant of 0.00243 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 9 years and 331 days at pH values of 7 and 8, respectively(2). Results of several biodegradation tests indicate that dimethyl hexahydroterephthalate is inherently biodegradable(7) and that biodegradation may be an important fate process in the environment(7,8).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dimethyl hexahydroterephthalate, which has an extrapolated vapor pressure of 4.41X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dimethyl hexahydroterephthalate 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 2 days(SRC), calculated from its rate constant of 7.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Dimethyl hexahydroterephthalate 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 dimethyl hexahydroterephthalate with photochemically-produced hydroxyl radicals has been estimated as 7.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.00243 L/mole-sec(SRC) was estimated using a structure estimation method(1); this corresponds to half-lives of 9 years and 331 days at pH values of 7 and 8, respectively(1). Dimethyl hexahydroterephthalate does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 11 was calculated in fish for dimethyl hexahydroterephthalate(SRC), using an estimated log Kow of 2.11(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl hexahydroterephthalate can be estimated to be 31(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl hexahydroterephthalate is expected to have very high mobility in soil.

The Henry's Law constant for dimethyl hexahydroterephthalate is estimated as 9.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 4.41X10-3 mm Hg(1), and water solubility, 1.2X10+4 mg/L(2). This Henry's Law constant indicates that dimethyl hexahydroterephthalate is expected to be essentially nonvolatile from water surfaces(3). Dimethyl hexahydroterephthalate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Volatilization from dry soil surfaces may not be an important fate process based upon its vapor pressure(SRC).

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of dimethyl hexahydroterephthalate is 1000 or greater; the data may be greatly underestimated(1).|Occupational exposure to dimethyl hexahydroterephthalate may occur through inhalation and dermal contact with this compound at workplaces where dimethyl hexahydroterephthalate is produced or used. Limited population exposure may occur via ingestion of and dermal contact with contaminated water in the vicinity of a spill site. (SRC)

/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 if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the 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. /Poisons A and B/|/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 needed. 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 ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/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 ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

60% cis and 40% trans isomers

All other basic organic chemical manufacturing|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester, trans-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.|1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester: ACTIVE