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HCID 14902생성일: 2026년 11월 3일

이소데실옥틸프탈레이트

이소데실옥틸프탈레이트 · isodecyl octyl phthalate · Octyl Isodecyl Phthalate Solution · Octyl isodecyl phthalate(Technical) · Octyl isodecyl phthalate Solution in Hexane · O1-(8-methylnonyl) O2-octyl benzene-1,2-dicarboxylate · 1-O-(8-methylnonyl) 2-O-octyl benzene-1,2-dicarboxylate · benzene-1,2-dicarboxylic acid O1-(8-methylnonyl) ester O2-octyl ester

https://huagongshe.com/ko/chemical/14902

이소데실옥틸프탈레이트 분자 구조식

식별자 및 물리적 특성

CAS No.1330-96-7
분자식C26H42O4
평균 분자량418.6 g/mol
단동위원소 질량418.30830982 g/mol
SMILESCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
InChIKeyUXLBXTIBYMXRNX-UHFFFAOYSA-N
PubChem CID14902
EC No.215-554-0
DTXSIDDTXSID9061675
현지명이소데실옥틸프탈레이트

화학 및 물리적 성질

XLogP9.8
극성 표면적52.6
수소 결합 공여자 수0
수소 결합 수용자 수4
회전 가능 결합 수19
무거운 원자 수30
형식 전하0
복잡도446
PolymersPlastics & Rubber -> Phthalate Esters
용해도Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
Endocrine DisruptorsPotential endocrine disrupting compound
증기압0.00000011 [mmHg]Vapor pressure for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/
Other Experimental PropertiesPhthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/Molecular weight: 418.68. /Octyl decyl phthalate/... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/
녹는점98°C
끓는 점456.33°C (rough estimate)
밀도0.9989 (rough estimate)
굴절률1.4510 (estimate)
헨리 상수4.7×10-1 mol/(m3Pa) at 25℃, HSDB (2015)
EPA1,2-Benzenedicarboxylic acid, isodecyl octyl ester (1330-96-7)

안전 및 규제

유해성 요약When injected into the yolk sac of developing chick embryos, the hatched chicks have tremor and ataxiaLike dioctyl phthalate, it may cause CNS depression and mild liver toxicity after ingestion of large amounts[HSDB] See PHTHALATE ESTERS.
Special ReportsNat'l Research Council CanadaPhthalate Esters in the Aquatic Environment (1980) NRCC No. 17583USEPAAmbient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067USEPA/ECAOAtlas Document for: Phthalate Esters (1980)
처리 방법SRP: 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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Preventive MeasuresSRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5.6X10+5(SRC), determined from a structure estimation method(2), indicates that isodecyl octyl phthalate is expected to be immobile in soil(SRC). Volatilization of isodecyl octyl phthalate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Isodecyl octyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-7 mm Hg(SRC), determined from a fragment constant method(4). Although biodegradation data on isodecyl octyl phthalate were not available(SRC, 2008), biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(5).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5.6X10+5(SRC), determined from a structure estimation method(2), indicates that isodecyl octyl phthalate 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 2.1X10-5 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 4.7 and 40 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 220 years if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 9.45(7) and a regression-derived equation(8), 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 4.7 years and 170 days at pHs 7 and 8, respectively(9). Although biodegradation data on isodecyl octyl phthalate were not available(SRC, 2008), biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(10).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isodecyl octyl phthalate, which has an estimated vapor pressure of 1.1X10-7 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 isodecyl octyl phthalate 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 16 hours(SRC), calculated from its rate constant of 2.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase isodecyl octyl phthalate may be removed from the air by wet or dry deposition(SRC). Isodecyl octyl phthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
유해 작용Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of isodecyl octyl phthalate can be estimated to be 5.6X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that isodecyl octyl phthalate is expected to be immobile in soil.
Artificial Pollution SourcesIsodecyl octyl phthalate's production and use as a plasticizer(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAlthough biodegradation data on isodecyl octyl phthalate were not available(SRC, 2008), biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(1).
Environmental BioconcentrationAn estimated BCF of 3 was calculated in fish for isodecyl octyl phthalate(SRC), using an estimated log Kow of 9.45(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).
Volatilization from Water/SoilThe Henry's Law constant for isodecyl octyl phthalate is estimated as 2.1X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isodecyl octyl phthalate 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 4.7 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 40 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 220 years if adsorption is considered(3). Isodecyl octyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-7 mm Hg(SRC), determined from a fragment constant method(4).
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ The effects of 8 phthalic acid esters, commonly used as plasticizers in polyvinyl chloride plastics, injected into the yolk sac of chick embryos, between the 65th and 72nd hr of development, were studied. Octyl isodecyl phthalate damaged the CNS of developing embryos, as indicated after hatching by grossly abnormal behavior of the chicks, such as tremor, nonpurposeful bodily movement, and inability to stand or walk normally.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of isodecyl octyl phthalate with photochemically-produced hydroxyl radicals has been estimated as 2.3X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 16 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.046 L/mole-sec(SRC) was estimated using a structure estimation method(2)this corresponds to half-lives of 4.7 years and 170 days at pH values of 7 and 8, respectively(2). Isodecyl octyl phthalate does contain chromophores that absorb at wavelengths >290 nm(3) and therefore may be susceptible to direct photolysis by sunlight(SRC).
Probable Routes of Human ExposureOccupational exposure to isodecyl octyl phthalate may occur through inhalation of aerosols and dermal contact with this compound at workplaces where isodecyl octyl phthalate is produced or used. Use data indicate that the general population may be exposed to isodecyl octyl phthalate via dermal contact products containing this compound. (SRC)
Environmental Fate/Exposure SummaryIsodecyl octyl phthalate's production and use as a plasticizer may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 1.1X10-7 mm Hg at 25 °C indicates isodecyl octyl phthalate will exist in both the vapor and particulate phases in the atmosphere. Vapor-phase isodecyl octyl phthalate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 16 hours. Particulate-phase isodecyl octyl phthalate will be removed from the atmosphere by wet or dry deposition. Isodecyl octyl phthalate does contain chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight. If released to soil, isodecyl octyl phthalate is expected to have no mobility based upon an estimated Koc of 5.6X10+5. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 2.1X10-5 atm-cu m/mole. However, adsorption to soil is expected to attenuate volatilization. Although biodegradation data on isodecyl octyl phthalate were not available, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded. If released into water, isodecyl octyl phthalate is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 4.7 and 40 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 220 years if adsorption is considered. An estimated BCF of 3 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important process based on estimated hydrolysis half-lives of 4.7 years and 170 days at pHs 7 and 8, respectively. Occupational exposure to isodecyl octyl phthalate may occur through inhalation of aerosols and dermal contact with this compound at workplaces where isodecyl octyl phthalate is produced or used. Use data indicate that the general population may be exposed to isodecyl octyl phthalate via dermal contact products containing this compound. (SRC)
TSCA 등재 상태TSCA listed
기존화학 물질KE-21508
유해 물질 데이터1330-96-7(Hazardous Substances Data)