Grundinformationen
- CAS
499-70-7- Standard-SMILES
CC(C)[C@@H]1CC[C@@H](C)C(=O)C1- InChIKey
GCRTVIUGJCJVDD-RKDXNWHRSA-N- Summenformel
- C10H18O
- Durchschnittliche Molmasse
- 154,25 g/mol
- Monoisotopische Masse
- 154,13576519
Namen und Bezeichner
- Bevorzugter Name
- Carvomenthone
- IUPAC
- trans-(2R,5R)-2-methyl-5-propan-2-ylcyclohexan-1-one
- Lokaler Name
- trans-5-Isopropyl-2-methylcyclohexan-1-on
- Englischer Name
- 5-Isopropyl-2-methyl-cyclohexanone
- Summenformel
- C10H18O
- Molmasse
- 154.25
Namen und Synonyme
TetrahydrocarvoneCarvomenthoneD5PYY1B83Q499-70-7Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-FEMA No. 3176RefChem:1081271207-887-5(R,R)-Tetrahydrocarvone(+)-carvomenthone(+-)-Carvomenthone(+-)-Tetrahydrocarvone
Weitere Namen anzeigen
2-methyl-5-propan-2-ylcyclohexan-1-oneCARVOMENTHONPARA-MENTHAN-2-ONEtrans-para-menthan-2-one(±)-trans-p-menthan-2-one5-Isopropyl-2-methyl-cyclohexanone5-Isopropyl-2-methylcyclohexan-1-one2-methyl-5-propan-2-yl-cyclohexan-1-onetrans-5-Isopropyl-2-methylcyclohexan-1-ontrans-5-isopropyl-2-methylcyclohexan-1-one
N2VIB4RXFKUNII-N2VIB4RXFKCarvomenthone, (+-)-(+-)-(R,R)-Tetrahydrocarvonetrans-p-Menthan-2-oneCyclohexanone, 2-methyl-5-(1-methylethyl)-, (2R,5R)-5206-83-7p-Menthan-2-one, trans-
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 149
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance substance (Carvomenthone) -> IFRA amendment 51
Fragrance Ingredient (p-Menthan-2-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.898-0.908 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point218-221 °C
Refractive Index1.451-1.457
Physical Descriptionclear, colourless liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 °C · 175 °C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 41.5% (49 of 118) of reports.
Warning
H302 (58.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 118 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-
Other Safety InformationIMAP assessments - Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (58.5%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
Carvomenthone
Carvomenthone; trans-p-Menthan-2-one; p-Menthan-2-one; trans-5-Isopropyl-2-methylcyclohexan-1-one; 5-Isopropyl-2-methylcyclohexanone; Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-; Tetrahydrocarvone; Cyclohexanone, 2-âmethyl-â5-â(1-âmethylethyl)â-
IFRA_STD_262.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Restriction Limits in the Finished Product (%)
0.0019 [Products applied to the lips]
0.0019 [Products applied to the axillae]
0.0019 [Products applied to the face/body using fingertips]
1.9 [Products related to fine fragrances]
0.079 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.0019 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anwendungen
BeschreibungMay be prepared by oxidation of carvomenthol; from α-methyl- (β'-isopropyl pimelic acid, dimethyl ester.
OccurrenceReported 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.
Darstellung
synthetischeBy oxidation of carvomenthol; from α-methyl-β′-isopropyl pimelic acid, dimethyl ester. (+)-Carvomenthone is formed from (+)-dihydrocarvone in a divergent pathway.
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