3-Methyl-2-pent-2-enylcyclopent-2-enon
CIS-JASMONE · (Z)-JASMONE · FEMA 3196 · cis-Jasmon · JASMONE · Aids032327 · cis-Jabarme · Aids-032327
Identifikatoren & physikalische Daten
| CAS No. | 488-10-8 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | CCC=CCC1=C(C)CCC1=O |
| InChIKey | XMLSXPIVAXONDL-UHFFFAOYSA-N |
| PubChem CID | 10261 |
| DTXSID | DTXSID50859404 |
| Lokaler Name | 3-Methyl-2-pent-2-enylcyclopent-2-enon |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 233 |
| Dichte | 0.934-0.9500.94 g/mL at 25 °C(lit.) |
| Löslichkeit | slightly soluble in watersoluble in etherMiscible at room temperature (in ethanol)1.48g/L at 20℃ |
| Siedepunkt | 248 °C134-135 °C12 mm Hg(lit.) |
| Brechungsindex | 1.489-1.501n20/D 1.498(lit.) |
| Physical Description | Pale yellowish to straw-coloured oily liquidodour of jasmine |
| Dampfdruck | 0.91Pa at 20℃ |
| FEMA | 3196 | 3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE |
| Flammpunkt | 225 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Colorless to Light orange to Yellow |
| Geruch | at 10.00 % in dipropylene glycol. woody herbal floral spicy jasmin celery |
| Geruchsart | floral |
| Biologische Quelle | synthetic |
| Merck | 14,5259 |
| JECFA Number | 1114 |
| BRN | 1907713 |
| Henry-Konstante | 5.2×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022) |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- |
| InChIKey | IVLCENBZDYVJPA-ARJAWSKDSA-N |
| SMILES | [H]\C(CC)=C(/[H])CC1=C(C)CCC1=O |
| LogP (Verteilungskoeffizient) | 2.8 at 35℃ |
| CAS Datenbank | 488-10-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-(488-10-8) |
| EPA chemische Informationen | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- (488-10-8) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29142990 |
| RTECS-Nr. | GY7301000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 17, Pg. 845, 1979. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 488-10-8(Hazardous Substances Data) |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
This has a jasmine odor.
Occurrence
The cis-form is reportedly occurring naturally; it is found in the essential oils of jasmine (3%), jonquil, and Pittosporum glabratum, in neroli oil, in peppermint (Mentha piperita), and in bergamot, apricot, raspberry, cinnamon, corn mint and spearmint oils, beer, tea, soybean and heated beans.
Verwenden
Traces, often mere fractions of one percent in a perfume oil may introduce just that wanted warmth and deep floral note almost unobtainable with other chemicals.Jasmone's flavor power is even greater. Concentrations of about 1 ppm have perceptible effect in many fruit flavors, while naturally, concentrations in Mint flavors are higher.