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Isopropylcinnamat
Isopropyl cinnamate · ISOPRO · Cinnamic acid isopropyl ester · Isopropylester kyseliny skoricove · Isopropylcinnamat · ISPROPYLCINNAMATE · Isopropyl ciamate · Isopropyl cinmate
Identifikatoren & physikalische Daten
| CAS No. | 7780-06-5 |
|---|---|
| Summenformel | C12H14O2 |
| Durchschnittliche Molmasse | 190,24 g/mol |
| Monoisotopische Masse | 190,09937969 g/mol |
| SMILES | CC(C)OC(=O)C=Cc1ccccc1 |
| InChIKey | RGACABDFLVLVCT-UHFFFAOYSA-N |
| PubChem CID | 24521 |
| DTXSID | DTXSID3064809 |
| Lokaler Name | Isopropylcinnamat |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 200 |
| Schmelzpunkt | 39 °C |
| Siedepunkt | 273 °C(lit.) |
| Dichte | 1.02 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.546(lit.) |
| FEMA | 2939 | ISOPROPYL CINNAMATE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Geruch | at 100.00 %. balsam fruity tropical cinnamyl berry strawberry peach |
| Geruchsart | balsamic |
| Biologische Quelle | synthetic |
| JECFA Number | 661 |
| BRN | 1908938 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+ |
| InChIKey | RGACABDFLVLVCT-CMDGGOBGSA-N |
| SMILES | CC(C)OC(=O)\C=C\c1ccccc1 |
| LogP (Verteilungskoeffizient) | 3.06 |
| CAS Datenbank | 7780-06-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester(7780-06-5) |
| EPA chemische Informationen | 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester (7780-06-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| RTECS-Nr. | GD9625000 |
| Sicherheitshinweise (S) | 24/25-22 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
Isopropyl cinnamate has a balsamic, sweet, dry amber-like odor and a fresh, fruity flavor. May be synthesized by esterification of isopropanol with cinnamic acid.
Verwenden
Isopropyl cinnamate can be used as a perfuming agent in cosmetics and as a flavoring ingredient in food industries.
Herstellung & Synthese
synthetische
By esterification of isopropanol with cinnamic acid