HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
trans-5-Isopropyl-2-methylcyclohexan-1-on
2-methyl-5-propan-2-ylcyclohexan-1-one · CARVOMENTHON · PARA-MENTHAN-2-ONE · trans-para-menthan-2-one · (±)-trans-p-menthan-2-one · 5-Isopropyl-2-methyl-cyclohexanone · 5-Isopropyl-2-methylcyclohexan-1-one · 2-methyl-5-propan-2-yl-cyclohexan-1-one
Identifikatoren & physikalische Daten
| CAS No. | 499-70-7 |
|---|---|
| Summenformel | C10H18O |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,1357652 g/mol |
| SMILES | CC1CCC(C(C)C)CC1=O |
| InChIKey | GCRTVIUGJCJVDD-UHFFFAOYSA-N |
| PubChem CID | 10362 |
| ChEBI | CHEBI:167371 |
| EC No. | 611-835-0 |
| DTXSID | DTXSID90862053 |
| Lokaler Name | trans-5-Isopropyl-2-methylcyclohexan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Duftstoffe | Fragrance substance (Carvomenthone) -> IFRA amendment 51Fragrance Ingredient (Cyclohexanone, 2-_methyl-_5-_(1-_methylethyl)_-) -> IFRA transparency ListFragrance Ingredient (p-Menthan-2-one) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.898-0.908 (20 °C)0.904 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | (in ethanol) |
| Siedepunkt | 108.00 to 109.00 °C. @ 760.00 mm Hg218-221 °C218-219 °C |
| Brechungsindex | 1.451-1.457 |
| Physical Description | clear, colourless liquid |
| Schmelzpunkt | 175 °C |
| FEMA | 3176 | P-MENTHAN-2-ONE |
| Geruch | at 100.00 %. woody minty spearmint cooling green |
| Geruchsart | minty |
| JECFA Number | 375 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 2.63 |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Cyclohexanone, 2-methyl-5-(1-methylethyl)-Cyclohexanone, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
May be prepared by oxidation of carvomenthol; from α-methyl- (β'-isopropyl pimelic acid, dimethyl ester.
Occurrence
Reported found in the oil of Blumea malcomii and Blumea eriantha; as a flavor component of cognac and in grapefruit peel oil, starfruit, corn mint oil and spearmint oil.
Herstellung & Synthese
synthetische
By oxidation of carvomenthol; from α-methyl-β′-isopropyl pimelic acid, dimethyl ester. (+)-Carvomenthone is formed from (+)-dihydrocarvone in a divergent pathway.