HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Octenoic acid, methyl ester
Einecs 219-259-8 · 2-Octenoicacidmethylester
Identifikatoren & physikalische Daten
| CAS No. | 2396-85-2 |
|---|---|
| Summenformel | C9H16O2 |
| Durchschnittliche Molmasse | 156,22 g/mol |
| Monoisotopische Masse | 156,11502975 g/mol |
| SMILES | CCCCCC=CC(=O)OC |
| InChIKey | CJBQSBZJDJHMLF-UHFFFAOYSA-N |
| PubChem CID | 61313 |
| DTXSID | DTXSID7062378 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 128 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| Siedepunkt | 53-56 °C(Press: 0.9 Torr) |
| Dichte | 0.896±0.06 g/cm3(Predicted) |
| FEMA | 3712 | METHYL TRANS-2-OCTENOATE |
| Geruch | at 100.00 %. fruity pear skin green cooked |
| Geruchsart | fruity |
| LogP (Verteilungskoeffizient) | 3.335 (est) |
| EPA chemische Informationen | 2-Octenoic acid, methyl ester (2396-85-2) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 2-Octenoic acid, methyl ester2-Octenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Occurrence
Reported found in stored hops, matsutake, Bartlett pears, soursop, hop oil and mountain papaya.