HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-on
trans-Dihydrocarvone · Carvone,dihydro- · 8-p-Menthen-2-one · (+)-Dihydrocarvone · 2R,5R-DIHYDROCARVONE · p-Menth-8(9)-en-2-one · p-Menth-8-en-2-one,trans- · (1R,4R)-(+)-Dihydrocarvone
Identifikatoren & physikalische Daten
| CAS No. | 5524-05-0 |
|---|---|
| Summenformel | C10H16O |
| Durchschnittliche Molmasse | 152,23 g/mol |
| SMILES | C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 |
| InChIKey | AZOCECCLWFDTAP-UHFFFAOYSA-N |
| PubChem CID | 22227 |
| ChEMBL | CHEMBL2268553 |
| ChEBI | CHEBI:154 |
| EC No. | 226-872-4 |
| DTXSID | DTXSID60895818 |
| Lokaler Name | (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-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 | 181 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-) -> IFRA transparency List |
| Siedepunkt | 87-88°C/6mmHg |
| Dichte | 0.928 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.471 |
| FEMA | 3565 | P-MENTH-8-EN-2-ONE |
| Flammpunkt | 102 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 0.929 |
| Farbe | Clear |
| Geruch | at 100.00 %. herbal minty mentholic |
| Geruchsart | minty |
| JECFA Number | 377 |
| BRN | 2044615 |
| InChI | 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3 |
| InChIKey | AZOCECCLWFDTAP-UHFFFAOYSA-N |
| SMILES | CC1CCC(CC1=O)C(C)=C |
| LogP (Verteilungskoeffizient) | 3.225 (est) |
| EPA chemische Informationen | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)- (5524-05-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29142900 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
(+)-Dihydrocarvone may be used in the following processes:Synthesis of dispiro 1,2,4,5-tetraoxanes, which show potent anti-malarial activity.Synthesis of an epoxylactone by oxidation, which can undergo copolymerization with ε-caprolactone to form cross-linked copolymers with shape memory properties.Synthesis of α-Cyperone, a eudesmane type sesquiterpenoid compound with potent insecticidal activity.