HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6987Erstellt: 4. November 2026
6-Isopropyl-3-methylcyclohex-2-enon
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- · PIPERITON · 3-methyl-6-(1-methylethyl)-2-Cyclohexen-1-one · P-MENTH-1-EN-3-ONE · PIPERTONE · ALPHA-PIPERITONE · 1-P-MENTHEN-3-ONE · Piperitone (mixture of enantiomers, predominantly (R)-(-)-form)
https://huagongshe.com/de/chemical/6987
Identifikatoren & physikalische Daten
| CAS No. | 89-81-6 |
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| Summenformel | C10H16O |
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| Durchschnittliche Molmasse | 152,23 g/mol |
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| Monoisotopische Masse | 152,12011513 g/mol |
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| SMILES | CC1=CC(=O)C(C(C)C)CC1 |
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| InChIKey | YSTPAHQEHQSRJD-UHFFFAOYSA-N |
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| PubChem CID | 6987 |
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| ChEMBL | CHEMBL2252746 |
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| ChEBI | CHEBI:48933 |
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| EC No. | 201-942-7 |
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| DTXSID | DTXSID7052604 |
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| Lokaler Name | 6-Isopropyl-3-methylcyclohex-2-enon |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 189 |
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| Duftstoffe | Fragrance Ingredient (Piperitone) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | 2.85 |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | very slightlyChloroform (Slightly), Ethyl Acetate (Slightly) |
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| Siedepunkt | 233.00 to 235.00 °C. @ 760.00 mm Hg233°C |
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| Schmelzpunkt | < 25 °C-29 °C |
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| Physical Description | Solid |
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| Dichte | 0,93 g/cm3 |
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| FEMA | 2910 | D-PIPERITONE |
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| Brechungsindex | -60 ° (C=4, benzene) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | Oil |
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| Farbe | Colourless to Pale Yellow |
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| Geruch | at 10.00 % in dipropylene glycol. herbal minty camphor medicinal |
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| Geruchsart | herbal |
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| JECFA Number | 435 |
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| Merck | 7473 |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| InChI | 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3 |
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| InChIKey | YSTPAHQEHQSRJD-UHFFFAOYSA-N |
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| SMILES | CC(CCC1C(C)C)=CC1=O |
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| LogP (Verteilungskoeffizient) | 2.4 |
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| EPA chemische Informationen | Piperitone (89-81-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1% (16 of 1634) of reports.WarningH315 (99%): 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 1634 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)REACH registered substance: 6-isopropyl-3-methylcyclohex-2-enone (EC: 201-942-7)2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (99%) |
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| Wassergefährdungsklasse (WGK) | WGK 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2914.29.5000 |
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| RTECS-Nr. | OT0257000 |
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| Sicherheitshinweise (S) | 23-24/25 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
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Anwendungen & Verwendung
Verwenden
Piperitone is a monoterpene compound that has a fresh minty camphor-like odour, and naturally occurs in extracts of commercial oil of peppermint. Piperitone is also used as a starting material in the synthesis of Thymol (T413000), a phenolic compound that is used for its antibacterial properties. The cyclic ketone is more commonly used in flavour compositions, particularly in spice complexes with Caraway, Estragon, etc., and in fruit complexes with mint flavours, etc. Now and then, it has become “fashionable” in dentifrice preparations where larger amounts are used. The concentration normally used is equivalent to about 1 to 20 ppm in the finished product.
