1,1,1-트리스(4-하이드록시페닐)에탄
1,1,1-Tris(4-hydroxyphenyl)ethane
기본 정보
- CAS
27955-94-8- 표준 SMILES
CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
BRPSWMCDEYMRPE-UHFFFAOYSA-N- 분자식
- C20H18O3
- 평균 분자량
- 306.4 g/mol
- 단동위원소 질량
- 306.12559443
이름 및 식별자
- 우선 이름
- 1,1,1-Tris(4-hydroxyphenyl)ethane
- IUPAC
- 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
- 현지명
- 1,1,1-트리스(4-하이드록시페닐)에탄
- 영어명
- 1,1,1-Tris(4-hydroxyphenyl)ethane
- 분자식
- C20H18O3
- 분자량
- 306.36
이름 및 동의어
1,1,1-Tris(4-hydroxyphenyl)ethane27955-94-8Phenol, 4,4',4''-ethylidynetris-Tris(4-hydroxyphenyl)ethane4,4',4''-EthylidynetrisphenolDTXSID20377124,4',4''-Ethane-1,1,1-triyltriphenolPhenol, 4,4',4''-ethylidynetri-TRISP-HAP25K43J16E24,4',4''-(ethan-1,1,1-triyl)triphenolDTXCID0017712
이름 더 보기
1,1,1-트리스(4-하이드록시페닐)에탄1,1,1-트리스(4-하이드록시페닐)에탄(1,1,1-TRIS(4-HYDROXYPHENYL)ETHANE)1,1,1-트리스(4-히드록시페닐)에탄THPE1,1,1-TRIS(P-HYDROXYPHENYL)ETHANE4,4',4''-(Ethane-1,1,1-triyl)triphenolTIMTEC-BB SBB006476LABOTEST-BB LT00159983TRIS-HYDROXYPHENYLETHANETri(4-hydroxyphenyl)ethaneTRIS(P-HYDROXYPHENYL)ETHANE4,4',4"-Ethylidynetriphenol
EC 405-800-71,1,1-(TRIS(P-HYDROXYPHENYL))ETHANERefChem:409519Tris(phydroxyphenyl)ethaneTris(4hydroxyphenyl)ethaneTris(parahydroxyphenyl)ethane4,4',4''Ethylidynetrisphenol1,1,1Tris(phydroxyphenyl)ethane
데이터베이스 식별자
- CAS
27955-94-8- PubChem CID
- 93118
- DTXSID
DTXSID2037712- ChEMBL
CHEMBL491936- UNII
- 25K43J16E2
- EC Number
- 405-800-7、608-155-1
- Nikkaji
- J209.065A
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 304
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Phenols
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Dry Powder
White to tan odorless powder; [DuPont MSDS]
Collision Cross Section184.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2037712]
물리화학적 성질
- 녹는점
- 246 · 246-248 °C (lit.)
- 끓는 점
- 531.8 · 531.8±45.0 °C(Predicted)
- 밀도
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 241 in · 241 in mg/100g standard fat at 20 ℃
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 10.02 · 10.02±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 25.1 mg/L · 25.1mg/L at 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 834 reports by companies from 2 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory Information
Phenol, 4,4',4''-ethylidynetris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-ethylidynetris- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4,4',4''-(ethan-1,1,1-triyl)triphenol (EC: 405-800-7)
Hazards Summary
A mild eye irritant; [RTECS] Not a sensitizer in guinea pig maximization test; May cause eye irritation; Prolonged or repeated exposure may cause digestive tract irritation and effects on the liver and kidney (based on animal studies); [DuPont MSDS]
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Hazardous to the aquatic environment (Acute) - Category 2
Hazardous to the aquatic environment (Acute) - Category 2
Aquatic Chronic 2
안전 데이터
화학 및 산업
용도 및 제조
Uses
Used in chemical manufacturing; [ExPub: ECHA REACH Registrations] Used as a cross-linking agent and/or branching agent in coatings, adhesives, epoxies, and plastics; [DuPont MSDS]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 75,000 - <100,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesStabilizing agent
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 4,4',4''-ethylidynetris-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
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