Ethylnicotinat
ETHYL 3-PYRIDINECARBOXYLATE · NICOTINIC ACID ETHYL ESTER · Ethyl nicotinat · ethyl nicotinoate · ETHYL PYRIDINE-3-CARBOXYLATE · ETHYL 3-PYRIDINECARBOXYLATE FOR SYNTHESI · Apamid · Ba 2673
Identifikatoren & physikalische Daten
| CAS No. | 614-18-6 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | CCOC(=O)c1cccnc1 |
| InChIKey | XBLVHTDFJBKJLG-UHFFFAOYSA-N |
| PubChem CID | 69188 |
| ChEMBL | CHEMBL2251611 |
| ChEBI | CHEBI:192166 |
| EC No. | 210-370-7 |
| DTXSID | DTXSID9046526 |
| Lokaler Name | Ethylnicotinat |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Stoffklassen | Nitrogen Compounds -> Pyridines |
| Kosmetika | Skin conditioning |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.34 |
| Aromastoffe | EU Flavoring substances |
| Physical Description | Clear light yellow liquidmp = 8-10 deg C[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 8-10 °C (lit.) |
| Siedepunkt | 223-224 °C (lit.) |
| Dichte | 1.107 g/mL at 25 °C (lit.) |
| Dampfdruck | 4.2-5.5Pa at 20-25℃ |
| Brechungsindex | n20/D 1.504(lit.) |
| Flammpunkt | 93 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 50g/lmiscible |
| pKa (Säurekonstante) | pK1:3.35(+1) (25°C) |
| Aggregatzustand | liquid |
| Wichte | 1.107 |
| Farbe | light yellow |
| BRN | 122937 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGPERFUMING |
| InChI | 1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3 |
| InChIKey | XBLVHTDFJBKJLG-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1cccnc1 |
| LogP (Verteilungskoeffizient) | 1.32 |
| Oberflächenspannung | 72mN/m at 1g/L and 20℃ |
| CAS Datenbank | 614-18-6(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Pyridinecarboxylic acid, ethyl ester(614-18-6) |
| EPA chemische Informationen | Ethyl nicotinate (614-18-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (90.3%): 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 1447 reports by companies from 12 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Pyridinecarboxylic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23786Ethyl 3-pyridinecarboxylate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[EFSA] An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] See Nicotinic acid. |
| Hazard Classes and Categories | Eye Irrit. 2 (90.3%) |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| R-Sätze (R) | 37/38-41-36/38-36/37/38 |
| Toxizität | LD50 orally in Rabbit: > 2005 mg/kg |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39-37/39-36 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Ethyl nicotinate is a chemical attractant used to prevent and control plant pests. Ethyl nicotinate was found to be a potent attractant forThrips obscuratus in peaches and apricots. It is more attractive than ripe fruit and catches peak at harvest. Long season trapping demonstrated the efficiency of chemical traps compared to unbaited traps. The attractiveness of the chemical was maintained for at least 2 weeks when 50 μl of the chemical was placed in an open 2 ml vial cap. Various pyralids, geometrids (Lepidoptera), and chironomids (Diptera) were also attracted in low numbers to ethyl nicotinate[1].
Verwenden
Ethyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics.