HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,6,9,12,15,18,21,24,27-Nonaoxanonatriacontan-1-ol
Dodecylnonaglycol · 3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol · Polydocacol · Polyether polyo · ANAPOE (R) -C12E9 · n-dodecyl-PEG9-OH · C12E9 10% solution · Polydocanol Impurity 1
Identifikatoren & physikalische Daten
| CAS No. | 3055-99-0 |
|---|---|
| Summenformel | C30H62O10 |
| Durchschnittliche Molmasse | 582,8 g/mol |
| Monoisotopische Masse | 582,43429817 g/mol |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| InChIKey | ONJQDTZCDSESIW-UHFFFAOYSA-N |
| PubChem CID | 656641 |
| ChEMBL | CHEMBL1231723 |
| ChEBI | CHEBI:46859 |
| EC No. | 221-284-4 |
| DTXSID | DTXSID5039721 |
| Lokaler Name | 3,6,9,12,15,18,21,24,27-Nonaoxanonatriacontan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 103 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 37 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 431 |
| Arzneimittel | PharmaceuticalsPharmaceuticals -> Listed in ZINC15 |
| Kosmetika | Cosmetic ingredients (Laureth-9) -> CIR (Cosmetic Ingredient Review)Emulsifying |
| Löslichkeit | miscibleChloroform (Slightly), Methanol (Slightly) |
| Human Drugs | Breast FeedingLactationMilk, HumanDetergentsSclerosing SolutionsSclerotherapiesSurface-Active AgentsFDA approved drugs -> Active ingredient |
| Schmelzpunkt | 33-36 °C |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Siedepunkt | 615.9±50.0 °C(Predicted) |
| Dichte | 1.007±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | n20/D 1.459 |
| Flammpunkt | 244℃ (Cleveland open test) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Gel |
| pKa (Säurekonstante) | 14.36±0.10(Predicted) |
| Farbe | White to Off-White |
| pH | pH (50g/l, 25℃) : 4.0～6.0 |
| Geruch | at 100.00%. bland |
| BRN | 1895308 |
| Kosmetik-Inhaltsstoffe Funktionen | SURFACTANT - EMULSIFYING |
| InChI | InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3 |
| InChIKey | ONJQDTZCDSESIW-UHFFFAOYSA-N |
| SMILES | C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC |
| LogP (Verteilungskoeffizient) | 3.029 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Dodecylnonaoxyethylene glycol monoether: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 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...Laureth-9...Safe for use in cosmetics, with qualifications |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)PolidocanolvNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Nonaethylene Glycol Monododecyl Ether is a nonionic surfactant useful in the formation of emulsions.