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3,6,9,12-Tetraoxotridecanol
2,5,8,11-TETRAOXATRIDECAN-13-OL · MPEG4-OH · 3,6,9,12-Tetraoxatridecan-1-ol · 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol · MTeG · m-PEG4-alcohol · HO-(CH2CH2O)4-Me · METHYL TETRAGLYCOL
Identifikatoren & physikalische Daten
| CAS No. | 23783-42-8 |
|---|---|
| Summenformel | C9H20O5 |
| Durchschnittliche Molmasse | 208,25 g/mol |
| Monoisotopische Masse | 208,13107374 g/mol |
| SMILES | COCCOCCOCCOCCO |
| InChIKey | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| PubChem CID | 90263 |
| ChEMBL | CHEMBL1232586 |
| ChEBI | CHEBI:189796 |
| EC No. | 245-883-5 |
| DTXSID | DTXSID3027829 |
| Lokaler Name | 3,6,9,12-Tetraoxotridecanol |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 99,2 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Solvents | Solvents -> Glycol Ethers (E Series) |
| Kosmetika | Cosmetic ingredients (PEG-4 Methyl Ether) -> CIR (Cosmetic Ingredient Review) |
| SpringerMaterials Properties | Surface tension |
| Surfactants | Surfactant |
| LogP (Verteilungskoeffizient) | -0.6 |
| Dichte | 1.06 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.045 g/mL at 25 °C |
| Viscosity | 11.5-12.5 mm²/s at 20 °C |
| Löslichkeit | Solubility in water: miscibleSoluble in DMSOWater solubility 999,999c. |
| Flammpunkt | 161 °C c.c.>110°C |
| Siedepunkt | 280-350 °C158-160 °C (5 mmHg) |
| Schmelzpunkt | -39 °C |
| Dampfdruck | 0.1Pa at 20℃ |
| Brechungsindex | 1.444-1.446 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.36±0.10(Predicted) |
| Farbe | Clear colorless to very slightly yellow |
| InChI | 1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3 |
| InChIKey | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| SMILES | COCCOCCOCCOCCO |
| LogP (Verteilungskoeffizient) | -1.5 at 20℃ |
| CAS Datenbank | 23783-42-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2,5,8,11-Tetraoxatridecan-13-ol (23783-42-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.9% (155 of 160) of all reports.Not ClassifiedAggregated GHS information provided per 160 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2,5,8,11-Tetraoxatridecan-13-ol3,6,9,12-Tetraoxatridecan-1-ol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraoxatridecan-1-ol 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)REACH registered substance: 3,6,9,12-tetraoxotridecanol (EC: 245-883-5)2,5,8,11-Tetraoxatridecan-13-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Brandgefahren | Combustible. |
| Gefahrenübersicht | Not a skin or eye irritant in rabbits[IUCLID] Similar glycol ethers demonstrate low acute toxicity by oral, dermal, and inhalation exposureHistopathological liver changes and testicular toxicity at high doses in sub-chronic oral studies of rats[OECD SIDS: High Boiling Ethylene Glycol Ethers - 2002] May cause irritation[Acros Organics MSDS] See Tetraethylene glycol butyl ether. |
| Chemical Dangers | Reacts with strong oxidants. |
| Hazard Classes and Categories | Not Classified |
| Brandbekämpfung | Use water spray, dry powder, alcohol-resistant foam, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Rinse skin with plenty of water or shower.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. Do NOT induce vomiting. |
| Sichere Lagerung | Separated from strong oxidants. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in sealable containers. Wash away spilled liquid with plenty of water. |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation. |
| Effects of Short Term Exposure | The substance is mildly irritating to the eyes. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxizitätsübersicht | The CIR Expert Panel concluded that the alkyl PEG ethers, listed below, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating. This assessment is also intended to address future alkyl PEG ether cosmetic ingredients that vary from those ingredients recited herein only by the number of ethylene glycol repeat units...PEG-4 Methyl Ether...Safe for use in cosmetics, with qualifications |
| Signs and Symptoms | Redness. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29094990 |
| Sicherheitshinweise (S) | 24/25-22 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,5,8,11-Tetraoxatridecan-13-o1, can be used in the synthesis of various chemicla compounds. It is also a monofunctional PEG that can be used in polymer science.