HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
4-tert-Octylphenol 2EO · 4-tert-Octylphenol diethoxylate solution · 2-[2-(4-tert-Octylphenoxy)ethoxy]ethanol · 5-(4-tert-Octylphenoxy)-3-oxapentane-1-ol · C15712802 4-iso-Octylphenol-di-ethoxylate · 5-[4-(tert-Octyl)phenoxy]-3-oxapentane-1-ol · 4-tert-Octylphenol diethoxylate in methanol · 4-tert-Octylphenol diethoxylate in isooctane
Identifikatoren & physikalische Daten
| CAS No. | 2315-61-9 |
|---|---|
| Summenformel | C18H30O3 |
| Durchschnittliche Molmasse | 294,4 g/mol |
| Monoisotopische Masse | 294,21949482 g/mol |
| SMILES | CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1 |
| InChIKey | LBCZOTMMGHGTPH-UHFFFAOYSA-N |
| PubChem CID | 24775 |
| ChEMBL | CHEMBL1236356 |
| EC No. | 621-341-7 |
| DTXSID | DTXSID3075044 |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 273 |
| Stoffklassen | Waste-water effluent contaminant |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 132 °C |
| Siedepunkt | 402.6±35.0 °C(Predicted) |
| Dichte | 0.982±0.06 g/cm3(Predicted) |
| Flammpunkt | -17℃ |
| Lagerbedingungen | -20°C |
| Löslichkeit | Ethanol: Soluble |
| Aggregatzustand | Oil to Low-Melting Solid |
| pKa (Säurekonstante) | 14.36±0.10(Predicted) |
| Farbe | Colourless to Off-White |
| Hauptanwendungen | environmental |
| 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 chemische Informationen | 2-[2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethoxy]ethanol (2315-61-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (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. |
|---|---|
| Regulatorische Informationen | Hazard Traits - Endocrine ToxicityFRI - 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 Categories | Acute Tox. 4 (100%) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 4-tert-Octylphenol diethoxylateWaste-water effluent contaminant600Applies to alkylphenol ethoxylates and their metabolitesthis compound is an alkylphenol ethoxylateSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN1090 - class 3 - PG 2 - Acetone, solution |
| R-Sätze (R) | 11-36-52/53-66-67 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-61-9 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
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.