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p-Menthan-3-on
P-MENTHAN-3-ONE · 2-ISOPROPYL-5-METHYLCYCLOHEXANONE · DL-MENTHONE · p-Menthanone · 5-Methyl-2-(1-methylethyl)cyclohexanone · MENTHONE · p-menthan- · MENTHONE 95
Identifikatoren & physikalische Daten
| CAS No. | 10458-14-7 |
|---|---|
| Summenformel | C10H18O |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,1357652 g/mol |
| SMILES | CC1CCC(C(C)C)C(=O)C1 |
| InChIKey | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| PubChem CID | 6986 |
| ChEMBL | CHEMBL1719455 |
| ChEBI | CHEBI:36742 |
| EC No. | 207-727-4 |
| DTXSID | DTXSID80859154 |
| Lokaler Name | p-Menthan-3-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 |
| Arzneimittel | Pharmaceuticals |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency ListFragrance Ingredient (Menthone) -> IFRA transparency List |
| Dichte | 0.895-0.9250.896 g/mL at 20 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | (in ethanol)Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.Slightly soluble in water |
| Siedepunkt | 210 °C85-88 °C/12 mmHg (lit.) |
| Brechungsindex | 1.449-1.451n20/D 1.450 |
| Physical Description | colourless slightly oily liquid with a peppermint odour |
| Schmelzpunkt | -6 °C |
| FEMA | 2667 | MENTHONE |
| Flammpunkt | 69 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 0.90 |
| Geruch | minty |
| JECFA Number | 429 |
| BRN | 774527 |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
| InChIKey | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| SMILES | CC(C)C1CCC(C)CC1=O |
| LogP (Verteilungskoeffizient) | 2.63 |
| CAS Datenbank | 10458-14-7(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexanone, 5-methyl-2-(1-methylethyl)-(10458-14-7) |
| EPA chemische Informationen | Cyclohexanone, 5-methyl-2-(1-methylethyl)- (10458-14-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.3% (87 of 1631) of reports.WarningH315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1631 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-Regulation (EC) No 1831/2003 (amended)Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/107922-Isopropyl-5-methylcyclohexanone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Menthone and isomenthone: Human health tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (88.8%)Flam. Liq. 3 (86.3%)Skin Irrit. 2 (50%)Skin irritation - category 2 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29142990 |
| RTECS-Nr. | OS9541500 |
| R-Sätze (R) | 22-36-43-52/53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-61-36/37-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Resp. Sens. 1 |
Anwendungen & Verwendung
Verwenden
Menthone has been used in the following studies:To prepare the model flavor mix in a study to investigate the release of various aroma compounds in xanthan-thickened food model systems having different viscosities. As standard in the quantification of volatile constituents and odour-activity value (OAV) in ′Marion′ and ′Black Diamond′. Modified semisolid agar antifungal susceptibility method (SAAS) to investigate the anti-fungal activities of various cyclic terpenes against Fusarium verticillioides MRC 826.