(+)-Isomenthon

D-ISOMENTHONE · (1R,4R)-Isomenthone · (+)-Isomenthone · (1R,4R)-p-Menthane-3-one · [1R,4R,(+)]-p-Menthan-3-one · Isomenthone Impurity 1 ((+)-Isomenthone) · (2R)-2βα-Isopropyl-5β-methylcyclohexanone · (2R,5R)-2-isopropyl-5-methyl-cyclohexanone

https://huagongshe.com/de/chemical/70962

Identifikatoren & physikalische Daten

CAS No.	1196-31-2
Summenformel	C10H18O
Durchschnittliche Molmasse	154,25 g/mol
Monoisotopische Masse	154,13576519 g/mol
SMILES	CC(C)[C@H]1CC[C@@H](C)CC1=O
InChIKey	NFLGAXVYCFJBMK-RKDXNWHRSA-N
PubChem CID	70962
ChEMBL	CHEMBL2272092
ChEBI	CHEBI:36492
EC No.	207-727-4
DTXSID	DTXSID001015953
Lokaler Name	(+)-Isomenthon

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
Lipide	Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials Properties	Optical coefficient
Duftstoffe	Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency List
Dichte	0.895-0.9250.8947
Aromastoffe	EU Flavoring substances
Löslichkeit	(in ethanol)Chloroform (Soluble), Ethanol (Slightly), Methanol (Sparingly)
Siedepunkt	210 °C217.64°C (estimate)
Brechungsindex	1.449-1.4511.4503
Physical Description	colourless slightly oily liquid with a peppermint odour
Schmelzpunkt	27.18°C (estimate)
Lagerbedingungen	Hygroscopic, Refrigerator, Under inert atmosphere
Aggregatzustand	Oil
Farbe	Colourless
Geruch	minty
Stabilität	Hygroscopic
LogP (Verteilungskoeffizient)	2.755 (est)

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.This chemical does not meet GHS hazard criteria for 91.5% (195 of 213) of all reports.
Regulatorische Informationen	Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-Regulation (EC) No 1831/2003 (amended)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)Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: 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	Not ClassifiedSkin Irrit. 2 (88.8%)Skin Irrit. 2 (100%)Skin irritation - category 2
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H412

Anwendungen & Verwendung

Verwenden

(+)-Isomenthone is an isomer of L-Menthone. L-Menthone, is s a constituent of the essential oils of pennyroyal, peppermint, Pelargonium geraniums, and others. It is also a naturally occurring pesticide.