HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylnon-2-enoat
NEOFOLIONE · BEAUVERTATE · METHYL 2-NONENOATE · FEMA 2725 · Nsc76416 · AI3-02449 · methylnon-2 · Wln: 7U1vo1
Identifikatoren & physikalische Daten
| CAS No. | 111-79-5 |
|---|---|
| Summenformel | C10H18O2 |
| Durchschnittliche Molmasse | 170,25 g/mol |
| Monoisotopische Masse | 170,13067981 g/mol |
| SMILES | CCCCCCC=CC(=O)OC |
| InChIKey | ZWNPUELCBZVMDA-UHFFFAOYSA-N |
| PubChem CID | 8136 |
| EC No. | 253-677-1 |
| DTXSID | DTXSID8047638 |
| Lokaler Name | Methylnon-2-enoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 139 |
| Schmelzpunkt | -89.9°C (estimate) |
| Siedepunkt | 115 °C21 mm Hg(lit.) |
| Dichte | 0.895 g/mL at 25 °C(lit.) |
| Dampfdruck | 13.33hPa at 95.84℃ |
| Brechungsindex | n20/D 1.444(lit.) |
| FEMA | 2725 | METHYL 2-NONENOATE |
| Flammpunkt | 196 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Geruch | at 100.00 %. sweet green waxy violet pear fruity melon vegetable |
| Geruchsart | green |
| Löslichkeit | 52.1mg/L at 25℃ |
| JECFA Number | 1813 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.6 at 25℃ |
| CAS Datenbank | 111-79-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Nonenoic acid, methyl ester(111-79-5) |
| EPA chemische Informationen | 2-Nonenoic acid, methyl ester (111-79-5) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Nonenoic acid, methyl ester |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| RTECS-Nr. | RA9470000 |
| R-Sätze (R) | 36/38-51/53 |
| Toxizität | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975) |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-61 |
| Gefahrenklasse | 9 |
Anwendungen & Verwendung
Beschreibung
Methyl 2-nonenoate has a characteristic violet-like odor. May be obtained in quantitative yields by treating methyl P-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Occurrence
Methyl trans-2-nonenoate has apparently not been reported to occur in nature.
Verwenden
Perfumes.
Herstellung & Synthese
synthetische
Obtained in quantitative yields by treating methyl β-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.