(±)-(1α,2β,5α)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol
(-)-Isopulegol
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Grundinformationen
- CAS
50373-36-9- Standard-SMILES
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O- InChIKey
ZYTMANIQRDEHIO-KXUCPTDWSA-N- Summenformel
- C10H18O
- Durchschnittliche Molmasse
- 154,25 g/mol
Überblick
Isopulegol is a p-menthane monoterpenoid. It has a role as a metabolite.
Namen und Bezeichner
- Bevorzugter Name
- (-)-Isopulegol
- IUPAC
- (1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
- Lokaler Name
- (±)-(1α,2β,5α)-5-Methyl-2-(1-methylvinyl)cyclohexan-1-ol
- Englischer Name
- (±)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol
- Summenformel
- C10H18O
- Molmasse
- 154.25
Namen und Synonyme
(-)-IsopulegolIsopulegol89-79-2l-Isopulegolcoolact P(1R,2S,5R)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-OLFEMA No. 29623TH92O3BXN(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-olNSC-231369DTXSID5047116RefChem:792269
Weitere Namen anzeigen
rac-2α*-(1-Methylethenyl)-5β*-methylcyclohexane-1β*-ol5-METHYL-2-(1-METHYLETHENYL)-, (1R,2S,5R)-REL-CYCLOHEXANOLCyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-(±)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol(±)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol
DTXCID501764296201-940-6p-Menth-8-en-3-ol50373-36-9Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-(-)-L-Isopulegol(1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanolNVG8YK55NL
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Isopulegol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.904-0.913
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
216.00 to 218.00 °C. @ 760.00 mm Hg
218 °C
Melting Point78 °C
Refractive Index1.468-1.477
Physical Description
Liquid
Solid
Colourless liquid, minty-herbaceous, bitter-sweet, harsh, camphoraceous odour
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1823) of reports.
Warning
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1823 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]-
Regulation (EC) No 1831/2003 (amended)
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)- 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: 16-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11447
Isopulegol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (> 99.9%)
Flam. Liq. 3 (100%)
Carcinogenicity - category 2
Sicherheitsdaten
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
U.S. Production2023: 15,884 lb
Consumer UsesOther
Industry UsesFragrance
Household Products
Information on 2 consumer products that contain Isopulegol in the following categories is provided:
Information on 1 consumer products that contain Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel- in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Other (requires additional information)
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-: ACTIVE
Zugehörige Reaktionen
25
Notizen zur Verbindung
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