1,4-Cyclohexanedimethanol

144.214

144.21

203-268-9

47A69Y3G5M|7I8476P8P0

44508

DTXSID9026712|DTXSID00274143|DTXSID60274144

Liquid|White waxy solid

29061990

40.5

0.36

OtherSolid; WetSolid

1.0381 g/cm³ @ Temp: 25 °C

41-61 °C

274 °C

330 DEG F OC

1.4240 (estimate)

H2O: >34g/l soluble ;Solluble in ethyl alcohol

3.08X10-4 mm Hg at 25 deg C

5 (Air = 1)

Sweet (1,3/1,4-cyclohexanedimethanol mixture)

Henry's Law constant = 6.4X10-11 atm-cu m/mol at 25 °C (est)

pKa = 17.6 (est)

Hydroxyl radical reaction rate constant = 2.1X10-11 cu cm/molec-sec at 25 °C (est)

600 °F (316 °C).

NONH for all modes of transport

1

R36

22-24/25-39-26

GU9800000

Xi

P280-P305 + P351 + P338

H318

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.

|Danger|H318 (60.89%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, P310, and P337+P313|Aggregated GHS information provided by 477 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H318 (11.11%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 9 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310

Alcohol foam. Water or foam may cause frothing.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 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.

LD50 Rats oral >3200-6400 mg/kg

1,4-Cyclohexanedimethanol's production and use as an intermediate in the production of polyester resins, films and 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 10(SRC), determined from a structure estimation method(2), indicates that 1,4-cyclohexanedimethanol is expected to have very high mobility in soil(SRC). Volatilization of 1,4-cyclohexanedimethanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.4X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 3.08X10-4 mm Hg(3), and water solubility, 1.92X10+5 mg/L(4). Volatilization from dry soil surfaces may not be an important fate process based upon its vapor pressure(SRC). Using the OECD-302B method (Zahn-Wellens/EMPA test for inherent biodegradability), 98% of initial 1,4-cyclohexanedimethanol was degraded over a 19-day incubation period which classified the compound as inherently biodegradable(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that 1,4-cyclohexanedimethanol 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 6.4X10-11 atm-cu m/mole(SRC), derived from its vapor pressure, 3.08X10-4 mm Hg(4), and water solubility, 9.2X10+5 mg/L(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 1.14(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1,4-Cyclohexanedimethanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Using the method OECD-111, <1% of initial 1,4-cyclohexanedimethanol hydrolyzed under acidic, neutral or basic conditions after a 5-day period at 50 °C(7). Using the OECD-302B method (Zahn-Wellens/EMPA test for inherent biodegradability), 98% of initial 1,4-cyclohexanedimethanol was degraded over a 19-day incubation period which classified the compound as inherently biodegradable(7).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,4-cyclohexanedimethanol, which has a vapor pressure of 3.08X10-4 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 1,4-cyclohexanedimethanol 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 2.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 1,4-cyclohexanedimethanol may be removed from the air by wet and dry deposition(SRC). 1,4-Cyclohexanedimethanol 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 1,4-cyclohexanedimethanol with photochemically-produced hydroxyl radicals has been estimated as 2.1X10-11 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). 1,4-Cyclohexanedimethanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Using the method OECD-111, <1% of initial 1,4-cyclohexanedimethanol hydrolyzed under acidic, neutral or basic conditions after a 5-day period at 50 °C(3). 1,4-Cyclohexanedimethanol 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 3 was calculated in fish for 1,4-cyclohexanedimethanol(SRC), using an estimated log Kow of 1.14(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 1,4-cyclohexanedimethanol can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,4-cyclohexanedimethanol is expected to have very high mobility in soil.

The Henry's Law constant for 1,4-cyclohexanedimethanol is estimated as 6.4X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 3.08X10-4 mm Hg(1), and water solubility, 1.92X10+5 mg/L(2). This Henry's Law constant indicates that 1,4-cyclohexanedimethanol is expected to be essentially nonvolatile from water surfaces(3). 1,4-cyclohexanedimethanol'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 1,4-cyclohexanedimethanol is 1000 or greater; the data may be greatly underestimated(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,900 workers (63 of these were female) were potentially exposed to 1,4-cyclohexanedimethanol in the US(1). Occupational exposure to 1,4-cyclohexanedimethanol may occur through inhalation and dermal contact with this compound at workplaces where 1,4-cyclohexanedimethanol is produced or used(SRC). During product formulation, dermal, ocular and inhalation exposure of workers to the chemical may occur, particularly where manual or open processes are used(2). Limited population exposure may occur via ingestion of and dermal contact with contaminated water in the vicinity of a spill site(SRC).

(14)C-1,4-cyclohexanedimethanol (CHDM) (70% trans-, 30% cis-isomers) was dissolved in water & given to male & female charles river cd (SD) rats by gavage in doses of 40 or 400 mg/kg of body wt. (14)C-CHDM was rapidly absorbed from GI tract. After 48 hr, 95% of dose was excreted in urine, 2.5% in feces, & 0.03% respired as (14)CO2 & 0.4% remained in carcass. The recovery of radioactivity averaged 98.9% of dose. T/2 of CHDM in plasma from rats dosed with 400 mg/kg was about 13 minutes.

(14)C-1,4-cyclohexanedimethanol (CHDM) (70% trans-, 30% cis-isomers) was dissolved in water & given to male & female charles river cd (SD) rats by gavage in doses of 40 or 400 mg/kg of body wt. Metabolites were identified in plasma & urine by gas chromatography & gas chromatography-mass spectrometry. In addn to CHDM, 4-hydroxymethylcyclohexanecarboxylic acid was detected in plasma. Unchanged chdm was not detected in urine. The major metabolites identified in urine were cyclohexanedicarboxylic acid (68%) & 4-hydroxymethylcyclohexanecarboxylic acid (31%). Less than 2% of radioactivity in urine was not fully characterized. The cis-trans ratio of metabolites excreted in urine was the same as that of original dose.

(14)C-1,4-cyclohexanedimethanol (CHDM) (70% trans-, 30% cis-isomers) was dissolved in water & given to male & female charles river cd (SD) rats by gavage in doses of 40 or 400 mg/kg of body wt. T/2 of CHDM in plasma from rats dosed with 400 mg/kg was about 13 minutes.

/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/

1,4-cyclohexanedimethanol

Cis and trans isomers are known and are present in the commercial product in about 30-70%.

All other basic organic chemical manufacturing|1,4-Cyclohexanedimethanol: ACTIVE|1,4-Cyclohexanedimethanol, cis-: ACTIVE|1,4-Cyclohexanedimethanol, trans-: ACTIVE|Enzymatic hydrolytic degradation of polybutylene succinate (PBS), poly(polybutylenesuccinate-co-1,4-cyclohexane dimethanol) (PBS/CHDM) and poly(polybutylene succinate-co-diglycolic acid) (PBS/DGA) in mixed solvent of tetrahydrofuran (THF) and toluene was examined. Lipase was used as catalyst to degrade polymers with molecular weight of more than 100,000, and the molecular weight of products ranged from hundreds to thousands. Thermal decomposition temperatures of all products were below 250 °C. The degradation products of both PBS/CHDM and PBS/DGA showed two melting points at about 85 and 99 °C. Mass spectrometry (MS) was employed to obtain the molecular weight of oligomers extracted from the products, which proved to be low-polyesters with the molecular weight of less 1,000. The butanediol (BDO) monomer was found in PBS/CHDM degradation product... /Polybutylene succinate/|A monomeric component of a polymer with food packaging applications.