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Ethylanisat
ETHYL ANISATE · FEMA 2420 · ETHYL P-ANISATE · ETHYL-P-METHOXY BENZOATE · p-Methoxybenzoic acid, ethyl ester · Benzoic acid, 4-methoxy-, ethyl ester · Ethylanisat · ETHYL-4-ANISATE
Identifikatoren & physikalische Daten
| CAS No. | 94-30-4 |
|---|---|
| Summenformel | C10H12O3 |
| Durchschnittliche Molmasse | 180,2 g/mol |
| Monoisotopische Masse | 180,07864424 g/mol |
| SMILES | CCOC(=O)c1ccc(OC)cc1 |
| InChIKey | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| PubChem CID | 60979 |
| ChEMBL | CHEMBL2260709 |
| ChEBI | CHEBI:173859 |
| EC No. | 202-320-8 |
| DTXSID | DTXSID4059099 |
| Lokaler Name | Ethylanisat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 160 |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (Ethyl p-anisate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.101-1.1051.103 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol) |
| Siedepunkt | 263.00 to 270.00 °C. @ 760.00 mm Hg270 °C263 °C(lit.) |
| Schmelzpunkt | 7 - 8 °C7-8 °C(lit.) |
| Brechungsindex | 1.522-1.528n20/D 1.524(lit.) |
| Physical Description | Liquidcolourless oily liquid with a light, fruity-floral, anise-like odour |
| FEMA | 2420 | ETHYL P-ANISATE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless liquid |
| Geruch | fruity,anise odor |
| Geruchsart | anisic |
| Biologische Quelle | synthetic |
| JECFA Number | 885 |
| BRN | 2209700 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3 |
| InChIKey | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(OC)cc1 |
| LogP (Verteilungskoeffizient) | 2.80 |
| CAS Datenbank | 94-30-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 4-methoxy-, ethyl ester(94-30-4) |
| EPA chemische Informationen | Benzoic acid, 4-methoxy-, ethyl ester (94-30-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.Not ClassifiedAggregated GHS information provided per 138 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 4-methoxy-, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzoic acid, 4-methoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzoic acid, 4-methoxy-, ethyl ester: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29189900 |
| RTECS-Nr. | BZ4697000 |
| Toxizität | LD50 orl-rat: 2040 mg/kg FCTXAV 14,659,76 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in feijoa fruit, rum, white wine, plum (fresh), starfruit and guava.
Herstellung & Synthese
synthetische
By esterification of anisic acid with ethanol in the presence of an acid catalyst.