Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
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기본 정보
- CAS
2315-61-9- 표준 SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1- InChIKey
LBCZOTMMGHGTPH-UHFFFAOYSA-N- 분자식
- C18H30O3
- 평균 분자량
- 294.4 g/mol
- 단동위원소 질량
- 294.21949482
이름 및 식별자
- 우선 이름
- Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
- IUPAC
- 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
- 영어명
- 5-[4-(tert-Octyl)phenoxy]-3-oxapentane-1-ol
- 분자식
- C18H30O3
- 분자량
- 294.43
이름 및 동의어
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol68310-57-62-(2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)ethoxy)ethanol2-{2-[4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXY]ETHOXY}ETHANOLRefChem:865000621-341-7Poly(oxy-1,2-ethanediyl), .alpha.-[(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-, potassium salt (1:1)2315-61-94-tert-Octylphenol DiethoxylateOctoxynol-22-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL2-(2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy)ethanol
이름 더 보기
4-tert-Octylphenol 2EO4-tert-Octylphenol diethoxylate solution2-[2-(4-tert-Octylphenoxy)ethoxy]ethanol5-(4-tert-Octylphenoxy)-3-oxapentane-1-olC15712802 4-iso-Octylphenol-di-ethoxylate5-[4-(tert-Octyl)phenoxy]-3-oxapentane-1-ol4-tert-Octylphenol diethoxylate in methanol4-tert-Octylphenol diethoxylate in isooctane4-tert-Octylphenol diethoxylate solution4-tert-Octylphenol-di-ethoxylate 1 μg/ml Acetone
2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanolEthanol, 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]-P801HF8Z9A4-iso-Octylphenol-di-ethoxylateEthanol, 2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-2-{2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-ol2-(2-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)ethoxy)ethanolOP2EO
데이터베이스 식별자
- CAS
2315-61-9、68310-57-6、9036-19-5- PubChem CID
- 24775
- DTXSID
DTXSID3075044- ChEMBL
CHEMBL1236356- UNII
- P801HF8Z9A
- EC Number
- 621-341-7
- Nikkaji
- J143.885I
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
Chemical ClassesWaste-water effluent contaminant
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 132 °C · 132 °C
- 끓는 점
- 402.6 · 402.6±35.0 °C(Predicted)
- 밀도
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- 인화점
- -17 ℃ · -17℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- 에탄올: 가용성
- 물리적 상태
- 오일을 저융점 고체로
- 산도 계수 (pKa)
- 14.36 · 14.36±0.10(Predicted)
- 색상
- 무색~황백색
- 주요 응용
- 환경
- InChI
- 1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
- InChIKey
- LBCZOTMMGHGTPH-UHFFFAOYSA-N
- SMILES
- CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
- EPA
- 2 · 2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanol (2315-61-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, 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
Regulatory Information
Hazard Traits - Endocrine Toxicity
Hazard Traits - Endocrine Toxicity
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
4-tert-Octylphenol diethoxylate
Waste-water effluent contaminant
600
Applies to alkylphenol ethoxylates and their metabolites; this compound is an alkylphenol ethoxylate
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
안전 데이터
- wgk
- 1
- ridadr
- UN1090 - class 3 - PG 2 - Acetone, solution
- risk_code
- 11-36-52/53-66-67
화학 및 산업
용도 및 제조
General Manufacturing InformationPoly(oxy-1,2-ethanediyl), .alpha.-[(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-, potassium salt (1:1): INACTIVE
응용 분야
용도2-[2-[4-(1,1,3,3-tetraMethylbutyl)phenoxy]ethoxy]-Ethanol is a common enironmental pollutant showing weak estrogenic effects. Has been shown to cause harm to the male reproductive system of vertebrates in particular among aquatic species where gonadal intersex , altered sex ratios, and reduced gonad size has been observed.
관련 반응
7건
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