5-Methyl-2-(1-methylethenyl)-cyclohexanol
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
Grundinformationen
- CAS
50373-36-9- Standard-SMILES
C=C(C)C1CCC(C)CC1O- InChIKey
ZYTMANIQRDEHIO-UHFFFAOYSA-N- Summenformel
- C10H18O
- Durchschnittliche Molmasse
- 154,25 g/mol
- Monoisotopische Masse
- 154,1357652
Überblick
isopulegols has been reported in Achillea abrotanoides, Mentha suaveolens, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
- IUPAC
- 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
- Lokaler Name
- 5-Methyl-2-(1-methylethenyl)-cyclohexanol
- Englischer Name
- ISOPULEGOL, TECH.
- Summenformel
- C10H18O
- Molmasse
- 154.25
Namen und Synonyme
8(9)-p-Menthen-3-olCyclohexanol, 5-methyl-2-(1-methylethenyl)-5-methyl-2-(1-methylethenyl)cyclohexanol1-Methyl-4-isopropenylcyclohexan-3-ol5-Methyl-2-(1-methylvinyl)cyclohexan-1-olDTXSID3044461EINECS 232-102-8NSC 231369DTXCID1024461EC 232-102-8RefChem:580679232-102-8
Weitere Namen anzeigen
IsopregolIsopulegol>Isohu mentholISOPULEGOL MIXShenghu mentholISOPULEGOL, TECH.Isopulegol, ≥ 85.0%PARA-MENTH-8-EN-3-OL
7786-67-65-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol5-methyl-2-prop-1-en-2-ylcyclohexan-1-oldl-isopulegol5-Methyl-2-(prop-1-en-2-yl)cyclohexanol2-Isopropenyl-5-methylcyclohexanol2-isopropenyl-5-methyl-cyclohexanolISOPULEGOL (MIXTURE OF ISOMERS)
Datenbank-Bezeichner
- CAS
50373-36-9、7786-67-6
Eigenschaften
Berechnete Struktureigenschaften
- 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
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Cyclohexanol, 5-_methyl-_2-_(1-_methylethenyl)_-) -> IFRA transparency List
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 90 · 90-92°C 12mm
- Dichte
- 0 · 0,91 g/cm3
- Dampfdruck
- 13.97 · 13.97-95Pa at 20-43.61℃
- Brechungsindex
- 1.4725 · 1.4725
- Flammpunkt
- 78 °C · 78°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Wasserlöslichkeit
- Slightly soluble in water
- Aggregatzustand
- Liquid
- pka
- 15.11 · 15.11±0.60(Predicted)
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
Warning
H302 (100%): 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 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H351: Suspected of causing cancer [Warning Carcinogenicity]
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
Cyclohexanol, 5-methyl-2-(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethenyl)- 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: 25-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16473
Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Carcinogenicity - category 2
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29061900
- RTECS-Nr.
- OT0190000
- risk_code
- 20/21/22-36/37/38
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
U.S. Production2023: 67,412 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-: ACTIVE
Anwendungen
VerwendenIsopulegol is a component of essential and volatile oils extracted from natural sources.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…