HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-acetylhexanoat
Ethyl2-acetylhexanoat · ethyl 2-acetylcaproate · ETHYL 2-ACETYLHEXANOATE · ETHYL 2-BUTYLACETOACETATE · ETHYL-N-BUTYLACETOACETATE · ETHYL 2-ACETYL-N-CAPROATE · ethyl 2-ethanoylhexanoate · ETHYL 2-ACETYL-N-HEXANOATE
Identifikatoren & physikalische Daten
| CAS No. | 1540-29-0 |
|---|---|
| Summenformel | C10H18O3 |
| Durchschnittliche Molmasse | 186,25 g/mol |
| Monoisotopische Masse | 186,12559444 g/mol |
| SMILES | CCCCC(C(C)=O)C(=O)OCC |
| InChIKey | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
| PubChem CID | 95466 |
| EC No. | 216-271-5 |
| DTXSID | DTXSID20862687 |
| Lokaler Name | Ethyl-2-acetylhexanoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 175 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.949-0.959 (20 °C)0,95 g/cm3 |
| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol)Chloroform, Methanol (Slightly) |
| Siedepunkt | 218-220 °C65°C 1mm |
| Brechungsindex | 1.425-1.4351.4320 |
| Physical Description | Colourless clear liquidFruity wine-like aroma |
| FEMA | 4452 | ETHYL 2-ACETYLHEXANOATE |
| Flammpunkt | 65°C/1mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 12.32±0.46(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless to Pale Yellow |
| Geruch | at 100.00 %. fruity winey |
| Geruchsart | winey |
| JECFA Number | 1953 |
| BRN | 636718 |
| InChI | 1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3 |
| InChIKey | ZTOQBHVLCJERBS-UHFFFAOYSA-N |
| SMILES | CCCCC(C(C)=O)C(=O)OCC |
| LogP (Verteilungskoeffizient) | 2.66 |
| CAS Datenbank | 1540-29-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Hexanoic acid, 2-acetyl-, ethyl ester |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29153900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Acetylhexanoate can be used as polymer photographic color images.