HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Triton X 100
4-tert-Octylphenol Monoethoxylate · NSC 5259 · OCTOXYNOL-5 · OCTOXYNOL-3 · 4-tert-Octylphenol EO · 2-(4-tert-Octylphenoxy)ethanol · 4-tert-Octylphenyl (2-Hydroxyethyl)ether · 4-tert-Octylphenol monoethoxylate in methanol
Identifikatoren & physikalische Daten
| CAS No. | 2315-67-5 |
|---|---|
| Summenformel | C16H26O2 |
| Durchschnittliche Molmasse | 250,38 g/mol |
| SMILES | CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 |
| InChIKey | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
| PubChem CID | 5590 |
| ChEMBL | CHEMBL39763 |
| ChEBI | CHEBI:9750 |
| EC No. | 264-520-1 |
| DTXSID | DTXSID1058680 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 232 |
| Stoffklassen | Waste-water effluent contaminant |
| Kosmetika | Cosmetic ingredients (Octoxynol-1) -> CIR (Cosmetic Ingredient Review)EmulsifyingSurfactant |
| Surfactants | Surfactant |
| Lebensmittelzusatzstoffe | Use unspecified -> FDA Substance added to food |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Siedepunkt | 351.2±25.0 °C(Predicted) |
| Dichte | 0.980-0.990 g/cm3(Temp: 25 °C) |
| Flammpunkt | -17℃ |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.29±0.10(Predicted) |
| Farbe | Off-White to Pale Yellow Oil |
| BRN | 2114647 |
| Hauptanwendungen | environmental |
| Kosmetik-Inhaltsstoffe Funktionen | SURFACTANT - EMULSIFYINGSURFACTANT - CLEANSING |
| InChI | 1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3 |
| InChIKey | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
| SMILES | CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 |
| LogP (Verteilungskoeffizient) | 4.992 (est) |
| EPA chemische Informationen | 2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol (2315-67-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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, P391, 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. |
|---|---|
| Regulatorische Informationen | Hazard Traits - Endocrine Toxicity |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Toxizitätsübersicht | The Panel also concluded that Octoxynols -1, ... is safe as used in rinse-off cosmetic products and safe at concentrations of 5% in leave-on cosmetic products.Safe for use in cosmetics, with qualifications |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | 4-tert-Octylphenol monoethoxylateWaste-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 | Eye Irrit. 2Flam. Liq. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
OCTOXYNOL-3 is a common enironmental pollutant showing weak estrogenic effects. It 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.