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HCID 8295생성일: 2026년 10월 26일

트리(크로로에틸)인산염

트리(크로로에틸)인산염 · 트리스(2-클로로에틸)인산 · 트리스(2-클로로에틸)포스페이트 · TCEP · TRIS(2-CHLOROETHYL)PHOSPHATE · tris(chloroethyl)phosphate · Tris(chloroethyl) phosphate · TRICHLOROETHYL PHOSPHATE

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트리(크로로에틸)인산염 분자 구조식

식별자 및 물리적 특성

CAS No.115-96-8
분자식C6H12Cl3O4P
평균 분자량285.5 g/mol
단동위원소 질량283.95387853 g/mol
SMILESO=P(OCCCl)(OCCCl)OCCCl
InChIKeyHQUQLFOMPYWACS-UHFFFAOYSA-N
PubChem CID8295
ChEMBLCHEMBL1413786
ChEBICHEBI:35037
EC No.204-118-5
DTXSIDDTXSID5021411
현지명트리(크로로에틸)인산염

화학 및 물리적 성질

XLogP1.3
극성 표면적44.8
수소 결합 공여자 수0
수소 결합 수용자 수4
회전 가능 결합 수9
무거운 원자 수14
형식 전하0
복잡도152
물질 분류OrganophosphateWaste-water effluent contaminant
SpringerMaterials PropertiesBoiling point
농약Pesticides -> Organophosphate Insecticides
LogP(분배 계수)log Kow = 1.78log Kow = 1.430.5
냄새Low odor
밀도1.425 at 68 °F (NTP, 1992) - Denser than waterwill sink1.39 g/cu cm at 25 °CRelative density (water = 1): 1.41.39 @25 °C1.39 g/mL at 25 °C (lit.)
Flame RetardantsFlame Retardants -> Organophosphorus flame retardant (OP)
Viscosity45 cP at 20 °C
Color/FormClear, transparent liquidLow viscosity liquid
용해도1 to 5 mg/mL at 68 °F (NTP, 1992)In water, 7.82X10+3 mg/L at 20 °CIn water, 7,000 mg/L, temp not specified.Insoluble in benzene. Soluble in most organic solvents.Slightly soluble in carbon tetrachlorideVery slightly soluble in aliphatic hydrocarbonssoluble in alcohols, esters, ketones and aromatic hydrocarbons.H2O: 용해성7.82g/L
인화점450 °F (NTP, 1992)216 °C (Cleveland open cup)232 °C (450 °F) (Closed cup)202 °C c.c.
Endocrine DisruptorsPotential endocrine disrupting compound
녹는점-51 °C
끓는 점192 °C/10 mmHg (lit.)
증기압<10 mm Hg ( 25 °C)
굴절률n20/D 1.472(lit.)
저장 조건2-8°C
물리적 상태액체
색상무색의
용해도7g/L(20℃)
헨리 상수3.0×100 mol/(m3Pa) at 25℃, HSDB (2015)
안정성안정적인. 강염기, 강산화제와 호환되지 않습니다.
주요 응용청소용품화장품환경음식 및 음료개인 위생 관리
InChI1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
InChIKeyHQUQLFOMPYWACS-UHFFFAOYSA-N
SMILESClCCOP(=O)(OCCCl)OCCCl
LogP(분배 계수)1.7 at 20℃
NISTPhosphoric acid, tri-2-chloroethyl ester(115-96-8)
EPATris(2-chloroethyl) phosphate (115-96-8)

화학적 성질

Tris(2-chloroethyl) phosphate is a clear, light yellow oily liquid with a faintly buttery odor. It is soluble in organic solvents such as ethanol, acetone, chloroform, and carbon tetrachloride, and only slightly soluble in water. The substance is combustible.

안전 및 규제

GHS 분류DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보Chemical: Ethanol, 2-chloro-, 1,1′,1′′-phosphateHazard Traits - CarcinogenicityGenotoxicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityReproductive ToxicityStatus: Cease Manufacture Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5193Substance: Tris(2-chloroethyl) phosphateTris(2-chloroethyl) phosphate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보IMAP assessments - Ethanol, 2-chloro-, phosphate (3:1): Human health tier II assessment
운송 라벨(DOT)Poison
화재 위험This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.
화재 가능성Combustible when exposed to heat or flame.
건강 유해성SYMPTOMS: Symptoms of exposure to this compound may include discomfort, itching, reddening, swelling and dermatitis. It may also cause skin, eye, mucous membrane and upper respiratory tract irritation. This compound may be a weak cholinesterase inhibitor over time.
유해성 요약Causes slight eye irritationSkin absorption is minimalIn high dose animal studies, findings include testicular damage, some inhibition of cholinesterase, and central nervous system effects including seizures. CNS effects may be due to cholinesterase inhibition or direct toxicity to brain. [HSDB] The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline. [TLVs and BEIs]
반응성 그룹Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EC 분류Symbol: Xn, NR: 22-40-51/53S: (2)-36/37-61
UN 분류UN Hazard Class: 9UN Pack Group: III
Special ReportsDHHS/NTPToxicology & Carcinogenesis Studies of Tris(2-chloroethyl) phosphate in F344/N Rats and B6C3F1 Mice (Gavage Studies) p.5 Technical Report Series No. 391 (1991) NIH Publication No. 91-2846WHOEnviron Health Criteria 209: Flame Retardants: Tris(chloropropyl) Phosphate and Tris(2-chloroethyl)Phosphate p.65 (1998). EHC are designed for scientists and administrators responsible for the establishment of safety standards and regulations and provide basic scientific risk evaluations of a wide range of chemicals and groups of chemicals.European Chemicals BureauIUCLID Dataset, Tris (2-Chloroethyl) phosphate (2000 CD-ROM edition) contains information on use, toxicology, and environmental effects of this chemical as supplied to the European Union by industry..[Available from, as of June 17, 2009: http://esis.jrc.ec.europa.eu/]IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Man. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Volume 48 (1990). Some Flame Retardants and Textile Chemicals, and Exposures in the Textile Manufacturing Industry.[Available from, as of July 22, 2009: http://monographs.iarc.fr/ENG/Monographs/vol48/volume48.pdf]IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Man. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Volume 71 (1999). Re-Evaluation of Some Organic Chemicals, Hydrazine and Hydrogen Peroxide.[Available from, as of July 22, 2009: http://monographs.iarc.fr/ENG/Monographs/vol71/volume71.pdf]
TSCA 요건Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Ethanol-, 2-chloro-, phosphate (3:1) is included on this list.
소화Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)Use water spray, powder, foam, carbon dioxide.
응급 조치Fresh air, rest.Rinse and then wash skin with water and soap.Rinse with plenty of water for several minutes (remove contact lenses if easily possible).Rinse mouth. Refer for medical attention .
응급 처치EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
안전 보관Keep in a well-ventilated room. Store in an area without drain or sewer access. Separated from food and feedstuffs. Provision to contain effluent from fire extinguishing.
Firefighting HazardsSpecial hazards arising from the substance or mixture: Carbon oxides, oxides of phosphorus, hydrogen chloride gas.
노출 관리 및 개인 보호Biological Exposure Indices (BEI) [ACGIH] - Acetylcholinesterase activity in red blood cells = 70% of individual's baselineButylcholinesterase activity in serum or plasma = 60% of individual's baselineSample at end of shift[TLVs and BEIs]
소화 절차Powder, water spray, foam, carbon dioxide.Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
보관 조건Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
정리 방법SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.
비화재 누출 대응SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
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.Waste treatment methods. Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.
누출 처리Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
체내 부담Tris(2-chloroethyl) phosphate was not detected (detection limit 1 ng/g) in adipose samples obtained at autopsy from up to eight male and eight female cadavers from each of six municipalities (Cornwall, London, St Catharines, Toronto, Welland, Windsor) in Ontario, Canada(1).
생태독성 수치LC50Species: Oryzias latipes (Medaka)Conditions: freshwater, static, 10 °CConcentration: 245000 ug/L for 24 hr /formulated product/Conditions: freshwater, static, 20 °CConcentration: 230000 ug/L for 24 hr /formulated product/Conditions: freshwater, static, 30 °CConcentration: 66000 ug/L for 24 hr /formulated product/Concentration: 230000 ug/L for 48 hr /formulated product/For more Ecotoxicity Values (Complete) data for TRIS(2-CHLOROETHYL) PHOSPHATE (8 total), please visit the HSDB record page.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 390(SRC), determined from a structure estimation method(2), indicates that tris(2-chloroethyl) phosphate is expected to have moderate mobility in soil(SRC). Volatilization of tris(2-chloroethyl) phosphate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.3X10-6 atm-cu m/mole(SRC), based upon its vapor pressure, 6.13X10-2 mm Hg(3), and water solubility, 7000 mg/L(4). Tris(2-chloroethyl) phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A 4% of theoretical BOD using activated sludge in the Japanese MITI test(5) suggests that biodegradation is not an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 390(SRC), determined from a structure estimation method(2), indicates that tris(2-chloroethyl) phosphate 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 3.3X10-6 atm-cu m/mole(SRC), derived from its vapor pressure, 6.13X10-2 mm Hg(4), and water solubility, 7000 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 19 and 140 days, respectively(SRC). Tris(2-chloroethyl) phosphate may undergo hydrolysis in the environment based on an estimated hydrolysis half-life of 20 days at pH 5 to 9(2). According to a classification scheme(6), measured BCF values of 0.6-5.1 in fish(7-9), suggest bioconcentration in aquatic organisms is low(SRC). A 4% of theoretical BOD using activated sludge in the Japanese MITI test(7) suggests that biodegradation is not an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tris(2-chloroethyl) phosphate, which has a vapor pressure of 6.13X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tris(2-chloroethyl) phosphate 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 2.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Tris(2-chloroethyl) phosphate 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).
식품 조사 수치Tris(2-chloroethyl) phosphate was found in fruit and fruit juice samples for infants at an average and range of 0.0002 and 0-0.002 ppm, respectively(1)samples were collected from 10 US cities during the 1979 fiscal year(1). In a ten-year US Market Basket Survey of ready-to-eat foods (1982-1991), tris(2-chloroethyl) phosphate was found twice in peaches at an average concentration of 1.113 ug/g and once in purple plums at a concentration of 0.007 ug/g(2). Tris(2-chloroethyl) phosphate was detected in one sample of oils and fats associated with toddler food at 0.500 ug/g during a 1980-1982 US Total Diet Survey(3).
유해 작용Other Poison - Organophosphate
노출 경로The substance can be absorbed into the body in hazardous amounts by ingestion.
독성 요약IDENTIFICATION AND USE: (Tris(2-chloroethyl) phosphate is a Clear, transparent liquid. It is used primarily as an additive plasticizer and viscosity regulator with flame-retarding properties for polyurethane, polyesters, polyvinyl chloride and other polymers. HUMAN EXPOSURE AND TOXICITY: Tris(2-chloroethyl) phosphate did not consistently demonstrate detectable unscheduled DNA synthesis with and without metabolic activation and failed to show a dose-response relationship in human WI-38 cells. ANIMAL STUDIES: In repeat dose studies Tris(2-chloroethyl) phosphate caused adverse effects on the brain (hippocampal lesions in rats), liver and kidneys. Non-irritant to eyes, but conflicting reports in the literature on skin irritation, has not been tested for sensitization potential. Not teratogenic. It adversely affects the fertility of male rats and mice. In vitro mutagenicity test results were inconsistent and an in vivo micronucleus test gave equivocal results. Tris(2-chloroethyl) phosphate causes benign and malignant tumors at various organ sites in rats and mice. A very high oral dose caused some inhibition of plasma cholinesterase and brain neuropathy target esterase, but did not cause delayed neurotoxicity. In rats, a high dose caused convulsions, brain lesions and impaired performance. Metabolites in rats and mice include bis(2-chloroethyl)carboxymethyl phosphatebis(2-chloroethyl) hydrogen phosphateand bis(2-chloroethyl)-2-hydroxyethyl phosphate glucuronide excreted mainly via the urine.
Average Daily IntakeThe average daily intake of tris(2-chloroethyl) phosphate for infants was found to be 0.0287 ug through fruit and fruit juice(1). The average daily intake of tris(2-chloroethyl) phosphate for toddlers was found to be 0.385 ug through oils and fats(2). The daily intake of tris(2-chloroethyl) phosphate per unit of body weight for infants and toddlers in 1979 was found to be 0.016 and 0.009 ug/kg, respectivelyfor infants in 1980 was 0.004 ug/kg(1)for toddlers in 1981-82 was 0.028 ug/kg(2). The average daily intake of tris(2-chloroethyl) phosphate was reported as (ug/g (Age)) 0.0049 (6-11 mo)0.0065 (2 yrs)0.0021 (14-16 yrs female)0.0011 (14-16 yrs male)0.0018 (25-30 yrs female)0.0013 (25-30 yrs male)0.0031 (60-65 yrs female)and 0.0026 (60-65 yrs male), according to an FDA Total Diet Study from Jun 1984-Apr 1986(3).
Plant ConcentrationsTris(2-chloroethyl) phosphate was found in the needles of Pinus ponderosa in the samples collected from the foothills of Sierra Nevada in 1993-94 at <2.5-1950 ng/g(1).
Animal ConcentrationsTris(2-chloroethyl) phosphate was detected at unreported concentrations in the blood of white-tailed eagles and in shag eggall samples were collected in Norway(1).Tris(2-chloroehtyl) phosphate concentrations were reported in female herring gull (Larus argentatus) tissue and egg components from samples collected Apr 2010 at Lake Huron colony site on Chantry Island(1).[Table#4051]
Ongoing Test StatusEPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assaysSee the data in Chemical Explorer/[USEPAICSS Dashboard ApplicationAvailable from, as of June 27, 2014: http://actor.epa.gov/dashboard/]The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from, as of September 2, 2014: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=115-96-8]
Effluent ConcentrationsGround water test wells down-gradient from the land application of primary wastewater effluent at Fort Devens, MA showed 0.28 and 0.81 ug/L of tris(2-chloroethyl) phosphate(1). Tris(2-chloroethyl) phosphate was in the leachate from the Osaka North Port Sea-Based Solid Waste Disposal Site at 0.4-300 ug/L(2). The mean concentrations of tris(2-chloroethyl phosphate in roof runoff water in Straussberg and Muenchelberg, Germany were 669 and 907 ng/L, respectivelysampled in July, 2001(3). Tris(2-chloroethyl) phosphate was detected, not quantified, in two of three samples from Swedish municipal landfill in Gryta, Vasteras, sampled in May 1990(4). Effluent wastewater samples collected in July 2001 from three municipal sewage treatment plants and one industrial sewage treatment plant that discharge their treated wastewater into the Oder River in Germany had mean tris(2-chloroethyl) phosphate concentrations of 352 ng/L and not detected (detection limit 1 ng/L), respectively(3). Sewage sludge in Japan was found to contain small amounts of tris(2-chloroethyl) phosphate(5). The concentration of tris(2-chloroethyl) phosphate in sludge samples taken from 11 sewage treatment plants located throughout Sweden was 0.6-110 ng/g dry weight, samples were collected 2002 to 2003(6). The concentration of tris(2-chloroethyl) phosphate in influent and effluent samples taken concurrently from these same plants was 90-1000 and 350-890 ng/L, respectively(6). Tris(2-chloroethyl) phosphate was detected at median values of 0.30-0.33 ug/L in influent samples and median concentration of 0.22 ug/L in effluent samples from three waste water treatment plants located in Galicia, Spainsamples were collected Nov 2007, Feb, Jun and Sep 2008(7). Tris(2-chloroethyl) phosphate was detected at <0.025-0.30 ng/L in influent samples and <0.025-0.70 ng/L in effluent samples from water treatment plants located in Spain(8). Tris(2-chloroethyl) phosphate was detected at 2000-2500 ng/L in influent samples and 1600-2200 ng/L in effluent samples from water treatment plants located in Norway(8).
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호KK2450000
운송 번호(UN)UN 2810 6.1/PG 3
독성LD50 oral in rat: 1230mg/kg
관세 코드29199000
위험 문구(R)22-40-51/53-60
위험 표시Xn,N,T
안전 문구(S)36/37-61-45-53
포장분류III
위험 등급9Acute Tox. 4 OralCarc. 2Repr. 1B
기존화학 물질KE-34072
저장 분류6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터115-96-8(Hazardous Substances Data)
중점관리물질 필터링별표1-67

용도

용도

Tris(2-chloroethyl) phosphate was used in dynamic air sampling of airborne organophosphate triesters using a solid-phase microextraction device.

일반 설명

Odorless clear liquid. Neutral pH.