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트리스(2,5-자일릴)포스페이트

Tris(2,5-xylenyl)phosphate

HCID 29402
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
19074-59-0
표준 SMILES
Cc1ccc(C)c(OP(=O)(Oc2cc(C)ccc2C)Oc2cc(C)ccc2C)c1
InChIKey
MDHAARLWBHZGIP-UHFFFAOYSA-N
분자식
C24H27O4P
평균 분자량
410.4 g/mol
단동위원소 질량
410.16469634

이름 및 식별자

우선 이름
Tris(2,5-xylenyl)phosphate
IUPAC
tris(2,5-dimethylphenyl) phosphate
현지명
트리스(2,5-자일릴)포스페이트
영어명
tris(2,5-xylyl) phosphate
분자식
C24H27O4P
분자량
410.44

이름 및 동의어

19074-59-0Tris(2,5-xylyl) phosphateTri(2,5-dimethylphenyl) phosphateTRIS(2,5-XYLENYL)PHOSPHATEPhenol, 2,5-dimethyl-, phosphate (3:1)UNII-PP52A5JDYUPP52A5JDYU2,5-Xylenol, phosphate (3:1)Tri(2,5-xylenyl)phosphateHSDB 3909EINECS 242-799-0NSC 66475
이름 더 보기
트리스(2,5-자일릴)포스페이트Nsc664752,5-Xylenol,phosphate (3:1)2,5-Xylyl phosphate, (C8H9o)3poTRIS(2,5-DIMETHYLPHENYL) PHOSPHATEPhosphoric acid tri(2,5-dimethylphenyl) esterphosphoric acid tris-(2,5-dimethyl-phenyl ester)
NSC-66475Phosphoric acid, tris(2,5-dimethylphenyl) esterSP 10 (ESTER)TRIS(2,5-XYLENYL)PHOSPHATE [HSDB]2,5-XYLYL PHOSPHATE ((C8H9O)3PO)PHENOL, 2,5-DIMETHYL-, 1,1',1''-PHOSPHATERefChem:192073Tri(2,5xylenyl)phosphate

데이터베이스 식별자

CAS
19074-59-0
PubChem CID
29402
DTXSID
DTXSID90940648
UNII
PP52A5JDYU
EC Number
242-799-0
Nikkaji
J173.956E

물성

구조 계산 물성

XLogP
7.2
극성 표면적
44.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
29
형식 전하
0
복잡도
491

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2건

1.197 @ 25 °C

Inflammable; pour point= -60 °C; density: 1.14 kg/l /Trixylyl phosphate/

Color/FormCrystals (from crystallization with dilute alcohol)
SolubilitySol in ether, benzene; slightly soluble in ethanol
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point260-265 °C @ 8 mm Hg
Melting Point79.8 °C
Vapor Pressure0.00000003 [mmHg]
Physical DescriptionSolid; [HSDB]
Other Experimental Properties · 2건

log Kow= 5.63 /Kronitex TXP/

Vapor presure: 5.15X10-8 mm Hg @ 30 °C /Kronitex TXP/

물리화학적 성질

녹는점
79.8 °C · 79.8°C
끓는 점
243.75 °C · 243.75°C (estimate)
밀도
1.197 · 1.1970
물리적 상태
고체
Henry's Law Constant
1.4 · 1.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
EPA
2 · Phenol, 2,5-dimethyl-, phosphate (3:1) (19074-59-0)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryThere are 5 isomers of Tris(x,y-xylenyl)phosphate; [HSDB] See Tris(3,5-xylenyl)phosphate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1.0X10+5(SRC), determined from a structure estimation method(2), indicates that tris(2,5-xylenyl)phosphate is expected to be immobile in soil(SRC). Volatilization of tris(2,5-xylenyl)phosphate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.2X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Tris(2,5-xylenyl)phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.6X10-8 mm Hg(SRC), determined from a fragment constant method(4). Tris(2,5-xylenyl)phosphate may be susceptible to hydrolysis in alkaline soils based on aquatic data for other triaryl phosphates(6). Biodegradation of aryl phosphates may occur slowly in the environment based on activated sludge tests showing 13 to 65% biodegradation of trixylenyl phosphate over 14 and 25 weeks, respectively(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.0X10+5(SRC), determined from a structure estimation method(2), indicates that tris(2,5-xylenyl)phosphate is 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 7.2X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Tris(2,5-xylenyl)phosphate may be stable to degradation in waters having slightly acidic and neutral pH values; however, decomposition of tris(2,5-xylenyl)phosphate may occur in alkaline waters(8). According to a classification scheme(5), an estimated BCF of 720(SRC), from a log Kow of 5.63(6), measured for Kronitex TXP, a commercial product containing tris(2,5-xylenyl)phosphate and other trixylenyl and triethylphenyl phosphate isomers, and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Biodegradation of aryl phosphates may occur slowly in the environment based on activatd sludge tests showing 13 to 65% biodegradation of trixylenyl phosphate over 14 and 25 weeks, respectively(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tris(2,5-xylenyl)phosphate, which has an estimated vapor pressure of 2.6X10-8 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase tris(2,5-xylenyl)phosphate may be removed from the air by wet and dry deposition(SRC).

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for tris(2,5-xylenyl)phosphate can be estimated to be 1.0X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that tris(2,5-xylenyl)phosphate is expected to be immobile in soil.

Fish/Seafood ConcentrationsTrixylenyl phosphate, isomer not specified, was detected in sturgeon from the Columbia River near Longview, OR at a concentration of 0.08 ng/g(1).
Artificial Pollution Sources · 1건

Specific use information for tris(2,5-xylenyl)phosphate was not located. However, trixylenyl phosphates are produced and used as flame retardants and plasticizers(1) and hydraulic fluids(2) and tris(2,5-xylenyl)phosphate may be released to the environment through various waste streams during such production and/or use(SRC).

Environmental Biodegradation · 1건

No specific biodegradation data were located for tris(2,5-xylenyl)phosphate in either soil or aquatic systems. TXP (trixylenyl phosphate) added at 3 mg/L/day was biodegraded by 65% over 14 weeks in the SCAS test using activated sludge as an inoculum; at an initial concentration of 13 mg/L/day, using the same test method, only 13% biodegradation was reported over a 25-week period(1). Kronitex TXP is a commercial product primarily consisting of the 2,5-, 3,4-, 3,5- and/or the 2,4-isomers of trixylylphosphates along with mixes of xylenyl phosphates or xylenyl/ethylphenyl phosphates(2). The degradation of specific isomers within the mixture was not quantified(1). In general, the biodegradability of triaryl phosphates decreases with increasing number and size of substituent groups on the phenolic ring(1,3). Therefore based on the evidence pertaining to TXP(1), tris(2,5-xylenyl)phosphate may be susceptible to biodegradation(1).

Environmental Bioconcentration · 1건

An estimated BCF value of 720 was calculated for tris(2,5-xylenyl)phosphate(SRC) using a log Kow of 5.63(2) measured for Kronitex TXP, a commercial product primarily consisting of the 2,5-, 3,4-, 3,5- and/or the 2,4-isomers of trixylylphosphates along with mixes of xylenyl phosphates or xylenyl/ethylphenyl phosphates(1), and a regression-derived equation(3). The actual BCF of tris(2,5-xylenyl)phosphate would be expected to be slightly higher, for a greater Kow value would be anticipated for tris(2,5-xylenyl)phosphate due to the presence of lower molecular weight constituents among the TXP mixture. This is in keeping with this class of chemicals as analogous tri-p-cresyl phosphate has measured BCFs of 1,420 and 928 in rainbow trout and fathead minnows, respectively(4). According to a classification scheme(5), this BCF value suggests the potential for bioconcentration of tris(2,5-xylenyl)phosphate in aquatic organisms is high(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for tris(2,5-xylenyl)phosphate is estimated as 7.2X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tris(2,5-xylenyl)phosphate is expected to be essentially nonvolatile from water surfaces(2). Tris(2,5-xylenyl)phosphate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Tris(2,5-xylenyl)phosphate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.6X10-8 mm Hg(SRC), determined from a fragment constant method(3).

Environmental Abiotic Degradation · 1건

Triaryl phosphates are generally stable to hydrolysis at neutral pH values and undergo moderate hydrolysis in acidic solutions(1). Triaryl phosphates will degrade at appreciable rates in natural waters under alkaline conditions to apparently stable, water soluble, anionic diesters such as diaryl phosphates(1). No persistence data specific to tris(2,5-xylenyl)phosphate was available; however, based on data pertaining to triphenyl and tricresyl phosphates(1), tris(2,5-xylenyl)phosphate is expected to hydrolyze in natural alkaline waters. Tris(2,5-xylenyl)phosphate is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm)(SRC).

Probable Routes of Human Exposure · 1건

Specific use information pertaining to tris(2,5-xylenyl)phosphate was not available, although triaryl phosphates are generally employed as flame-retardants and plasticizers(1) and in hydraulic fluids(2). Occupational exposure to tris(2,5-xylenyl)phosphate may occur through inhalation of dust particles and dermal contact with this compound at workplaces where tris(2,5-xylenyl)phosphate is produced or used(SRC).

Environmental Fate/Exposure Summary · 1건

Tris(2,5-xylenyl)phosphate's production and use as a flame-retardant, plasticizer, or hydraulic fluid may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 2.6X10-8 mm Hg at 25 °C indicates tris(2,5-xylenyl)phosphate will exist solely in the particulate phase in the ambient atmosphere. Particulate-phase tris(2,5-xylenyl)phosphate will be removed from the atmosphere by wet and dry deposition. If released to soil, tris(2,5-xylenyl)phosphate is expected to be immobile based upon an estimated Koc of 1.0X10+5. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 7.2X10-8 atm-cu m/mole. Tris(2,5-xylenyl)phosphate is not expected to volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation of aryl phosphates may occur slowly in the environment based on activated sludge tests showing 13 to 65% biodegradation of trixylenyl phosphate over 14 and 25 weeks, respectively. Under alkaline conditions in soil and water environments, appreciable abiotic degradation may occur via hydrolysis. If released into water, tris(2,5-xylenyl)phosphate is 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 720 suggests the potential for bioconcentration in aquatic organisms is high. Occupational exposure to tris(2,5-xylenyl)phosphate may occur through inhalation of dust particles and dermal contact with this compound at workplaces where tris(2,5-xylenyl)phosphate is produced or used. (SRC)

Antidote and Emergency Treatment · 2건

Basic treatment: Establish a patent airway. 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 normal saline 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 ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

안전 데이터

유해 물질 데이터
19074-59-0(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 3건

Used as a flame retardant; [HSDB]

Used in flame retardants' formulations

Non-flammable hydraulic fluid (steel works, furnaces, mines); polyvinyl chloride plasticizer /Trixylyl phosphate/

ImpuritiesTri-o-cresyl phosphate and other o-cresyl-components /TXP formulations/
U.S. Imports · 2건

(1981) 90,401 million pounds /Trixylyl phosphate/

(1983) 9,921 million pounds /Trixylyl phosphate/

U.S. ProductionIn million pounds: (1980) 5.0; (1981) 4.1; (1982) 3.4; (1983) 3.4; (1984) 3.7 /Trixylyl phosphate/
Methods of ManufacturingXylenol, mixed + phosphorus oxychloride (dehydrochlorination) /Trixylyl phosphate/
Formulations/PreparationsTRIS(2,5-XYLENYL)PHOSPHATE IS PRESENT IN BOTH KRONITEX TXP AND FYRQUELL 220, WHICH ARE COMMERCIALLY USED FLAME RETARDANTS.

공급사7 곳

苏州市晨科生物科技有限公司18662408853 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海康恩博医药科技有限公司(科小研试剂)400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

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