Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) (HCID 24775)

名称と識別子

優先名称: 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
現地名: 2-[2-[4-(1,1,3,3-テトラメチルブチル)フェノキシ]エトキシ]エタノール
英語名: 5-[4-(tert-Octyl)phenoxy]-3-oxapentane-1-ol
分子式: C18H30O3
分子量: 294.43

名称と別名

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

名称をさらに表示

イゲパールCA-2102-[2-[4-(1,1,3,3-テトラメチルブチル)フェノキシ]エトキシ]エタノール2-[2-(4-tert-オクチルフェノキシ)エトキシ]エタノール5-[4-(tert-オクチル)フェノキシ]-3-オキサペンタン-1-オール5-(4-tert-オクチルフェノキシ)-3-オキサペンタン-1-オール4-TERT-オクチルフェノールジエトキシラート溶液2-{2-[4-(2,4,4-トリメチルペンタン-2-イル)フェノキシ]エトキシ}エタン-1-オール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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.5
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 9
重原子数: 21
形式電荷: 0
複雑度: 273

実験および物理化学的性質

Chemical ClassesWaste-water effluent contaminant

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 132 °C · 132 °C
沸点: 402.6 · 402.6±35.0 °C(Predicted)
比重(密度): 0.982 · 0.982±0.06 g/cm3(Predicted)
闪点: -17 ℃ · -17℃
貯蔵温度: -20 °C · -20°C
溶解性: Ethanol: Soluble
外見: Oil to Low-Melting Solid
酸解離定数(Pka): 14.36 · 14.36±0.10(Predicted)
色: Colourless to Off-White
主な用途: 環境
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の化学物質情報: 2 · 2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanol (2315-61-9)

化学的性質

化学的特性2-[2-[4-(1,1,3,3-tetraMethylbutyl)phenoxy]ethoxy]-Ethanol is Colourless Oil

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

毒性情報

USGS Health-Based Screening Levels for Evaluating Water-Quality · 5 件

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

安全データ

wgk: 1
ridadr: UN1090 - class 3 - PG 2 - Acetone, solution
risk_code: 11-36-52/53-66-67
hazard_code: F,Xi
safety_code: 16-26-61-9
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPoly(oxy-1,2-ethanediyl), .alpha.-[(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-, potassium salt (1:1): INACTIVE

応用分野 · 1 件

使用2-[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.