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HCID 7735생성일: 2026년 10월 26일

[4-(히드록시메틸)시클로헥실]메탄올

[4-(히드록시메틸)시클로헥실]메탄올 · cis-1,4-Cyclohexanedimethanol · 1,4-Cyclohexanedimethanol, cis- · cis-1,4-Bis(hydroxymethyl)cyclohexan · [4-(hydroxymethyl)cyclohexyl]methanol · ((1s,4s)-cyclohexane-1,4-diyl)dimethanol · cis-[4-(hydroxymethyl)cyclohexyl]methanol

https://huagongshe.com/ko/chemical/7735

[4-(히드록시메틸)시클로헥실]메탄올 분자 구조식

식별자 및 물리적 특성

CAS No.105-08-8
분자식C8H16O2
평균 분자량144.21 g/mol
단동위원소 질량144.11502975 g/mol
SMILESOCC1CCC(CO)CC1
InChIKeyYIMQCDZDWXUDCA-UHFFFAOYSA-N
PubChem CID7735
ChEMBLCHEMBL3185118
EC No.203-268-9
DTXSIDDTXSID9026712
현지명[4-(히드록시메틸)시클로헥실]메탄올

화학 및 물리적 성질

XLogP0.6
극성 표면적40.5
수소 결합 공여자 수2
수소 결합 수용자 수2
회전 가능 결합 수2
무거운 원자 수10
형식 전하0
복잡도73.3
PolymersOther Classes -> Alcohols and Polyols, Other
LogP(분배 계수)log Kow = 1.14 /Estimated by Experimental Value Adjustment method using cyclohexanediol/
냄새Sweet (1,3/1,4-cyclohexanedimethanol mixture)Mild hydrocarbon odor
밀도1.0381 at 25 °C/4 °C1.0381 @25 °C1.004±0.06 g/cm3(Predicted)
Viscosity877 cP at 50 °C, supercooled
Color/FormLiquidWhite waxy solid
용해도In water, 920,000 mg/L at 20 °CSolluble in ethyl alcohol
인화점166 °C330 °F OC
Endocrine DisruptorsPotential endocrine disrupting compound
끓는 점286 °C (cis-isomer), 283 °C (trans-isomer)274 °C @760 [mm Hg]136-137 °C(Press: 2 Torr)
DecompositionWhen heated to decomposition it emits acrid smoke and fumes.
녹는점43 °C (cis-isomer), 67 °C (trans-isomer)42-43 °C
pKa(산도 계수)14.75±0.10(Predicted)
EPA1,4-Cyclohexanedimethanol, cis- (3236-47-3)

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 5.8% (27 of 467) of reports.DangerH318 (63.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 467 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: 1,4-CyclohexanedimethanolRegulation (EC) No 1935/2004 (amended)1,4-Cyclohexanedimethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexanedimethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/142111,4-Cyclohexanedimethanol: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보IMAP assessments - 1,4-Cyclohexanedimethanol: Environment tier I assessment
유해성 요약Causes proteinuria and weight loss in feeding studies of rats[RTECS] May cause irritation[MSDSonline]
NFPA Hazard Classification1 - 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.
Hazard Classes and CategoriesEye Dam. 1 (63.6%)Eye Dam. 1 (10%)Eye damage - category 1
소화 절차Alcohol foam. Water or foam may cause frothing.
처리 방법SRP: 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 qualitypotential migration in soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.
Protective Action Criteria (PAC)9.6 [mg/m3]110 [mg/m3]630 [mg/m3]
생태독성 수치LC50Species: Pimephales promelas (Fathead minnow)Conditions: freshwater, static, 19-20 °C, pH 8.2-8.5, dissolved oxygen 8.2-9.0 mg/LConcentration: >125.3 mg/L for 96 hrSpecies: Daphnia magna (Water flea)Conditions: freshwater, staticConcentration: >100 mg/L for 96 hrEC50Species: Pseudokirchneriella subcapitata (Green algae)Concentration: >122.9 mg/L for 72 hrEffect: inhibition of biomassEffect: inhibition of growth
환경 거동TERRESTRIAL 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).
Soil Adsorption/MobilityUsing 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.
Artificial Pollution Sources1,4-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).
Environmental BiodegradationAEROBIC: 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(1).
Environmental BioconcentrationAn 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).
Volatilization from Water/SoilThe 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).
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Acute Exposure/ Rats (10 used, not specified if per dose or total) were administered 1,4-cyclohexanedimethanol via oral gavage at doses of 400 - 6400 mg/kg-bw and were observed for 14 days. Animals appeared normal to very weak with prostration and vasodilatation./LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Male (12/dose) and female (10/dose) Sprague-Dawley rats administered 1,4-cyclohexanedimethanol in their drinking water at concentrations of 0, 4.0, 8.0 or 12.5 mg/L for 13 weeks. The approximate dose levels achieved were 0, 256, 479 or 861 mg/kg-bw/day in males and 0, 440, 754 or 1754 mg/kg-bw/day in females. High-dose rats experienced decreased survival and had bloody or brown/red discolored urine, softened and/or reduced feces, reductions in body weights and weight gains, decreased feed consumption and increased urinary protein levels. No treatment-related effects were seen in animals receiving the mid- and low-dose levels. LOAEL (male) = 861 mg/kg-bw/day (based on decreased survival, abnormal urine and feces, reduced body weights and weight gains, decreased feed consumption and increased urinary protein levels) LOAEL (female) = 1754 mg/kg-bw/(based on decreased survival, abnormal urine and feces, reduced body weights and weight gains, decreased feed consumption and increased urinary protein levels) NOAEL (male) = 479 mg/kg-bw/day NOAEL (female) = 754 mg/kg-bw/day/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Male and female Sprague-Dawley rats (12/sex/dose) were administered 1,4-cyclohexanedimethanol in their drinking water at concentrations of 0, 4.0, 8.0 or 12.5 mg/L during pre-mating (56 days), mating (up to 14 days), gestation (21-22 days), and early lactation (4 days). The approximate dose levels achieved were 0, 256, 479 and 861 mg/kg-bw/day in males and 0, 385, 854 and 1360 mg/kg-bw/day in females. One male and one female from the high dose group were euthanized in extremis during the pre-mating period. High-dose animals (gender not specified) exhibited bloody or discolored urine, reductions in body weights and weight gains and decreased feed consumption. These signs persisted through lactation in females. Decreased food consumption during lactation days 0-4 was observed in mid-dose females. No treatment-related effects were seen in organ weights harvested and histologically examined. There was no treatment-related effect on epididymal or testicular sperm counts. A decrease in sperm motility was noted in some males at the highest dose. This effect was not statistically significant, but was considered to be biologically significant. There were no reductions in any of the fertility parameters or indices examined. Biologically significant changes in litters were only noted in pups from high dose dams. These pups exhibited decreased body weights and weight gains as well as decreased postnatal survival between days 0 and 4. The incidence of pups with no or small amounts of milk in their stomachs, and pups that were either missing (presumably cannibalized) or found dead was also higher from dams exposed to higher doses. No treatment-related effects were noted in the two lower dose groups in the reproductive parameters assessed (reproductive performance, gestation length, pup survival rate, prenatal loss, number of implantation sites, number of live and dead pups, pup sex ration, body weights and weight gains). The fetotoxicity noted occurred at levels that induced significant maternal toxicity. LOAEL (systemic toxicity, male) = 861 mg/kg-bw/day (based on bloody or discolored urine, reductions in body weights and weight gains and decreased feed consumption) LOAEL (systemic toxicity, female) = 1360 mg/kg-bw/day (based on bloody or discolored urine, reductions in body weights and weight gains and decreased feed consumption) NOAEL (systemic toxicity, male) = 479 mg/kg-bw/day NOAEL (systemic toxicity, female) = 854 mg/kg-bw/day LOAEL (developmental toxicity) = 1360 mg/kg-bw/day (based on decreased fetal weight and postnatal survival) NOAEL (developmental toxicity) = 854 mg/kg-bw/day LOAEL (reproductive toxicity) > (highest dose tested) NOAEL (reproductive toxicity) = 1360 mg/kg-bw/day/ENDOCRINE MODULATION/ Eastman Tritan copolyester, a novel plastic from Eastman is manufactured utilizing three monomers, di-methylterephthalate (DMT), 1,4-cyclohexanedimethanol (CHDM), and 2,2,4,4-tetramethyl-1,3-cyclobutanediol (TMCD) in various ratios. As with most any polymer, the monomers along with the high molecular weight oligomers, whose toxicity is most commonly represented by the monomers, make up the predominate amount of free chemicals available for leaching into the environment and/or foods. In light of the high level of public concern about the presence of endocrine (primarily estrogenic) activity ascribed to certain plastics and chemicals in the environment, Tritan's monomers were evaluated using QSAR for binding to the androgen receptor and estrogen receptors (alpha and beta) as well as a battery of in vitro and in vivo techniques to determine their potential androgenicity or estrogenicity. The findings were universally negative. When these data are coupled with other in vivo data developed to assess systemic toxicity and developmental and reproductive toxicity, the data clearly indicate that these monomers do not pose an androgenic or estrogenic risk to humans. Additional data presented also support such a conclusion for terephthalic acid (TPA). TPA is also a common polyester monomer and is the main mammalian metabolite formed from DMT. /Tritan copolyester/For more Non-Human Toxicity Excerpts (Complete) data for 1,4-CYCLOHEXANEDIMETHANOL (8 total), please visit the HSDB record page.
Environmental Abiotic DegradationThe 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).
Probable Routes of Human ExposureAccording 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 greaterthe 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).
Environmental Fate/Exposure Summary1,4-Cyclohexanedimethanol's production and use as an intermediate in the production of polyester resins, films and coatings may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 3.08X10-4 mm Hg at 25 °C indicates 1,4-cyclohexanedimethanol will exist in both the vapor and particulate phases in the atmosphere. Vapor-phase 1,4-cyclohexanedimethanol will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 18 hours. Particulate-phase 1,4-cyclohexanedimethanol will be removed from the atmosphere by wet and dry deposition. 1,4-Cyclohexanedimethanol does not contain chromophores that absorb at wavelengths >290 nm and, therefore, is not expected to be susceptible to direct photolysis by sunlight. If released to soil, 1,4-cyclohexanedimethanol is expected to have very high mobility based upon an estimated Koc of 10. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 6.4X10-11 atm-cu m/mole. Volatilization from dry soil surfaces may not be an important fate process based upon its vapor pressure. 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. If released into water, 1,4-cyclohexanedimethanol is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). 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. Limited population exposure may occur via ingestion of and dermal contact with contaminated water in the vicinity of a spill site. (SRC)
Antidote and Emergency Treatment/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/
TSCA 등재 상태TSCA listed