Ethylenglykolmonophenylether
PHENOXYETHANOL · PhG · Ethanol, 2-phenoxy- · ETHYLENE GLYCOL PHENYL ETHER · Phenoxyethyl alcohol · ETHYLENE GLYCOL MONOPHENYL ETHER · Arosol · PHENYLGLYCOL
Identifikatoren & physikalische Daten
| CAS No. | 122-99-6 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| SMILES | OCCOc1ccccc1 |
| InChIKey | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| PubChem CID | 31236 |
| ChEMBL | CHEMBL1229846 |
| ChEBI | CHEBI:64275 |
| EC No. | 204-589-7 |
| Lokaler Name | Ethylenglykolmonophenylether |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 77,3 |
| Arzneimittel | PharmaceuticalsPharmaceuticals -> Listed in ZINC15 |
| Solvents | Solvents -> Glycol Ethers (E Series) |
| Kosmetika | Cosmetics ingredient -> AntioxidantBaseColorantFragranceOther (Specify)Preservative/StabilizerSolventCosmetic ingredients (Phenoxyethanol) -> CIR (Cosmetic Ingredient Review) |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (2-Phenoxyethanol) -> IFRA transparency List |
| Surfactants | Surfactant |
| LogP (Verteilungskoeffizient) | log Kow = 1.161.1601.2 |
| Geruch | Faint aromatic odor |
| Geschmack | Burning taste |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.104 (USCG, 1999) - Denser than waterwill sink1.1094 at 20 °C/20 °CBulk density: 9.2 lb/galRelative density (water = 1): 1.11.11 @ 20°C1.102 g/mL at 25 °C (lit.) |
| Viscosity | 20.5 centistokes at 25 °C |
| Schmelzpunkt | 11-13 °C (lit.) |
| Siedepunkt | 247 °C (lit.) |
| Dampfdichte | 4.8 (vs air) |
| Dampfdruck | 0.01 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.539 |
| FEMA | 4620 | 2-PHENOXYETHANOL |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble, clear, colorless to very faintly yellow30 g/L (20 ºC) |
| pKa (Säurekonstante) | 14.36±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 1.109 (20/4℃) |
| Geruch | Faint aromatic odor |
| pH | 7 (10g/l, H2O, 23℃) |
| Explosionsgrenze | 1.4-9.0%(V) |
| Geruchsart | floral |
| Merck | 14,7257 |
| BRN | 1364011 |
| Henry-Konstante | 2.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | environmental |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIALPRESERVATIVE |
| InChI | 1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| SMILES | OCCOc1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.2 at 23℃ |
| CAS Datenbank | 122-99-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Phenoxyethanol(122-99-6) |
| EPA chemische Informationen | Ethylene glycol monophenyl ether (122-99-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 4299) of reports.H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-phenoxy-Hazard Traits - Respiratory ToxicityEthanol, 2-phenoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-phenoxy- 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)Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/151602-Phenoxyethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Ethanol, 2-phenoxy-: Human health tier II assessment |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Brandpotenzial | Combustible when exposed to heat or flame ... . |
| Gesundheitsgefahren | May cause moderate eye irritation and moderate corneal injury. Excessive exposure may cause skin irritation and hemolysis. (USCG, 1999) |
| Gefahrenübersicht | Can cause corneal injury[CAMEO] A skin irritant that can have adverse effects on the central and peripheral nervous systems[ICSC] Sensitization to this molecule is very rare. [Kanerva, p. 1825] No reproductive toxicity in animal studies, but liver and kidney injury occur at high doses. [MSDSonline] See Glycol Ethers.The major hazards encountered in the use and handling of 2-phenoxyethanol stem from its toxicologic properties. Toxic by all routes (inhalation, ingestion, and dermal contact), exposure to this faintly aromatic, colorless, oily liquid may occur from its use as a fixative for cosmetics, perfumes, and soaps |
Anwendungen & Verwendung
Beschreibung
Phenoxyethanol is an organic chemical compound, a glycol ether often used in dermatological products such as skin creams and sunscreen. It is a colorless oily liquid. It is a bactericide (usually used in conjunction with quaternary ammonium compounds). Phenoxyethanol is used in many applications such as cosmetics, vaccines and pharmaceuticals as a preservative.
Verwenden
Phenoxyethanol is a preservative used in consumer and health care products, including vaccines, pen inks, ear drops, shampoos, skin cleansers, moisturizers, sun care products, and topical medicaments. The preservative Euxyl-K 400 also contains 2-phenoxyethanol, in combination with methyldibromoglutaronitrile. Phenoxyethanol is commonly used in cosmetics for its antibacterial and antifungal properties. It is increasingly being used in vaccines as a substitute for thiomersal and is also a component of pen inks and, more rarely, ear drops.Reactions to phenoxyethanol have rarely been reported. Three cases of CoU induced by phenoxyethanol in cosmetics have been reported.2-Phenoxyethanol is used as a single agent and in combination with other preservatives such as 1,2-dibromo-2,4-dicyanobutane (Euxyl K 400) and parabens, or in conjunction with quaternary ammonium compounds.The possibility of immunological IgE-mediated reaction could not be confirmed because specific IgE against 2-phenoxyethanol was negative.