(+)-Piperitone
FEMA 2910 · D-Piperitone · (S)-Piperitone · dextro-piperitone · (S)-Piperitone97% · 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6S)-
Identifikatoren & physikalische Daten
| CAS No. | 4573-50-6 |
|---|---|
| Summenformel | C10H16O |
| Durchschnittliche Molmasse | 152,23 g/mol |
| Monoisotopische Masse | 152,12011513 g/mol |
| SMILES | CC1=CC(=O)[C@H](C(C)C)CC1 |
| InChIKey | YSTPAHQEHQSRJD-VIFPVBQESA-N |
| PubChem CID | 61362 |
| ChEBI | CHEBI:41 |
| EC No. | 639-124-0 |
| DTXSID | DTXSID401317272 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 189 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Duftstoffe | Fragrance Ingredient (d-Piperitone) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.929-0.9340.8899 (rough estimate) |
| Löslichkeit | insoluble in watersoluble in alcohol(in ethanol) |
| Siedepunkt | 233.00 to 235.00 °C. @ 760.00 mm Hg233-235 °C234.73°C (rough estimate) |
| Schmelzpunkt | -29 °C |
| Brechungsindex | 1.483-1.4871.4884 (estimate) |
| Physical Description | Liquidclear, light yellowish to yellow liquid |
| FEMA | 2910 | D-PIPERITONE |
| Aggregatzustand | liquid |
| Farbe | Clear, Pale Yellow |
| Geruch | at 10.00 % in dipropylene glycol. herbal minty mentholic peppermint |
| Geruchsart | mentholic |
| JECFA Number | 435 |
| LogP (Verteilungskoeffizient) | 2.41 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (6S)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2916310090 |
Anwendungen & Verwendung
Occurrence
The structure has been defined by the work of several authors; the d-, l- and dl-forms are known; the d-form is found in the essential oils of Mentha silvestris, Cymbopogon sennaarensis and Japanese peppermint oil; the dl-form is found in the essential oils of Andropogon iwarancusa, Mentha pulegium var. hirsuta and in mixture with the l-form, Eucalyptus dives; the l-form, the most abundant, is found in about 30 varieties of eucalyptus and in other plants. It is also reported found in lemon and lime peel oil, lime juice, other citrus peel oils, black currants, raspberry, celery seed, cinnamon bark, peppermint oil, corn mint oil, other Mentha oils, nutmeg, pepper, mace, parsley seed oil, rose apple, starfruit, tamarind, elder flower, rosemary, buchu oil, lemon balm, sweet grass oil, eucalyptus oil and mastic gum fruit and leaf oil.
Herstellung & Synthese
synthetische
Isolated from Japanese mint oil; l-form from Eucalyptus dives oil; by hydrogenation of diosphenol; by reduction of 5-methyl-2-isopropylanisole with sodium in liquid NH4.