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Ethylphenoxyacetat
2-phenoxybutanoate · ETHYL PHENOXYACETATE · EthylPhenoxyacetate>Ethylphenoxyacetate,98% · ETHYL-(2-PHENOXYACETAT) · Ethyl phenoxyacetate 98% · phenoxy-aceticaciethylester · PHENOXYACETIC ACID ETHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 2555-49-9 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CCOC(=O)COc1ccccc1 |
| InChIKey | MGZFVSUXQXCEHM-UHFFFAOYSA-N |
| PubChem CID | 17365 |
| EC No. | 219-867-3 |
| DTXSID | DTXSID3062520 |
| Lokaler Name | Ethylphenoxyacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 150 |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (Ethyl phenoxyacetate) -> IFRA transparency List |
| Siedepunkt | 136 °C/19 mmHg (lit.) |
| Dichte | 1.1 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5045-1.5065 |
| Flammpunkt | >110°C |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.100 |
| Farbe | Clear yellow |
| Geruch | at 100.00 %. green floral rose |
| Geruchsart | floral |
| Löslichkeit | immiscible |
| BRN | 1871712 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | MGZFVSUXQXCEHM-UHFFFAOYSA-N |
| SMILES | CCOC(=O)COc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.348 (est) |
| CAS Datenbank | 2555-49-9(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, phenoxy-, ethyl ester (2555-49-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 8.1% (114 of 1402) of reports.WarningH319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 1402 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, phenoxy-, ethyl ester |
| Weitere Sicherheitsinformationen | IMAP assessments - Acetic acid, phenoxy-, ethyl ester: Environment tier I assessment |
| Hazard Classes and Categories | Eye Irrit. 2 (91.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
The ester is occasic nally used in flavor compositions, mainly imitation Honey, where it can help tone down the rather pungent notes of the conventional Methyl- and Ethyl phenylacetates. Higher esters of Phenoxyacetic acid are also used in Honey - for perfumes andflavors, and some of them find their way into Styrax-bases.