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α-Methylzimtaldehyd
FEMA 2697 · α-Methylcinnamaldehyde · A-METHYLCINNAMALDEHYDE · METHYL CINNAMIC ALDEHYDE · a-Methyl-trans-cinnaMaldehyde · ALPHA-METHYL CINNAMIC ALDEHYDE · 2-methyl-3-phenyl-2-propenal · alpha-Methylzimtaldehyd
Identifikatoren & physikalische Daten
| CAS No. | 101-39-3 |
|---|---|
| Summenformel | C10H10O |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,07316494 g/mol |
| SMILES | CC(C=O)=Cc1ccccc1 |
| InChIKey | VLUMOWNVWOXZAU-UHFFFAOYSA-N |
| PubChem CID | 7557 |
| ChEMBL | CHEMBL3184118 |
| DTXSID | DTXSID4025587 |
| Lokaler Name | α-Methylzimtaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 152 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 148-149 °C27 mm Hg(lit.) |
| Dichte | 1.047 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.605(lit.) |
| FEMA | 2697 | ALPHA-METHYLCINNAMALDEHYDE |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly)<0.1 g/100 mL at 21 ºC |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 100.00 %. sweet cinnamon spicy cassia |
| Geruchsart | spicy |
| Biologische Quelle | synthetic |
| JECFA Number | 683 |
| BRN | 507514 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+ |
| InChIKey | VLUMOWNVWOXZAU-VQHVLOKHSA-N |
| SMILES | [H]C(=O)\C(C)=C(/[H])c1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.68 |
| CAS Datenbank | 101-39-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propenal, 2-methyl-3-phenyl-(101-39-3) |
| EPA chemische Informationen | .alpha.-Methylcinnamaldehyde (101-39-3) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29122900 |
| RTECS-Nr. | GD6600000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
α-Methylcinnamaldehyde has a characteristic cinnamon-type odor with a soft, spicy flavor. May be synthesized by condensing benzaldehyde with propionic aldehyde in the presence of a 1% caustic soda solution; also by the controlled hydrogenation of α-methylcinnamic aldehyde.
Occurrence
Reported found in peppermint oil, sherry and mint
Herstellung & Synthese
synthetische
By condensing benzaldehyde with propionic aldehyde in the presence of a 1% caustic soda solution; also by the controlled hydrogenation of α-methylcinnamic aldehyde