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2-Methoxyphenylphenylacetat
GUAIACYL PHENYLACETATE · Gu-Nyl · FEMA 2535 · Gujaphenyl · Guaiafenolo · GUAIACOL PHENYL ACETATE · GUAIACYL PHENYL ACETATE 98% · esterguaiacyl phenylacetate
Identifikatoren & physikalische Daten
| CAS No. | 4112-89-4 |
|---|---|
| Summenformel | C15H14O3 |
| Durchschnittliche Molmasse | 242,27 g/mol |
| Monoisotopische Masse | 242,0942943 g/mol |
| SMILES | COc1ccccc1OC(=O)Cc1ccccc1 |
| InChIKey | KNVYLIIBQXVDKC-UHFFFAOYSA-N |
| PubChem CID | 61331 |
| ChEBI | CHEBI:173746 |
| EC No. | 223-898-8 |
| DTXSID | DTXSID1063306 |
| Lokaler Name | 2-Methoxyphenylphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 258 |
| Duftstoffe | Fragrance Ingredient (Guaiacyl phenylacetate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watervery soluble (in ethanol) |
| Siedepunkt | 150.00 °C. @ 0.40 mm Hg201 °C (2 mm Hg)354.2±25.0 °C(Predicted) |
| Schmelzpunkt | 32 °C40-43 °C(lit.) |
| Physical Description | SolidAmber viscous liquid. When pure it forms colourless crystals with heavy, rather dry, woody, herbaceous odour |
| Dichte | 1.144 |
| FEMA | 2535 | GUAIACYL PHENYLACETATE |
| Flammpunkt | >230 °F |
| Geruch | at 10.00 % in dipropylene glycol. heavy balsam phenolic spice floral woody powdery honey smoked sausage |
| Geruchsart | balsamic |
| Biologische Quelle | synthetic |
| JECFA Number | 719 |
| Merck | 13,4568 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C15H14O3/c1-17-13-9-5-6-10-14(13)18-15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChIKey | KNVYLIIBQXVDKC-UHFFFAOYSA-N |
| SMILES | COc1ccccc1OC(=O)Cc2ccccc2 |
| LogP (Verteilungskoeffizient) | 3.12 |
| EPA chemische Informationen | Benzeneacetic acid, 2-methoxyphenyl ester (4112-89-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneacetic acid, 2-methoxyphenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzeneacetic acid, 2-methoxyphenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Guaiacyl phenylacetate has a heavy, dry, woody, herbaceous odor and a woody, spicy, smoky flavor. This may be synthesized from phenylacetyl chloride and guaiacol in aqueous alkaline solution or using pyridine.