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1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol
β-TERPINEOL · Cyclohexanol, 1-methyl-4-(1-methylethenyl)- · 4-Isopropenyl-1-methylcyclohexanol · AI300731 · AI3 00731 · AI3-00731 · b-Terpineol · beta-Terpinol
Identifikatoren & physikalische Daten
| CAS No. | 138-87-4 |
|---|---|
| Summenformel | C10H18O |
| Durchschnittliche Molmasse | 154,25 g/mol |
| Monoisotopische Masse | 154,13576519 g/mol |
| SMILES | C=C(C)C1CCC(C)(O)CC1 |
| InChIKey | RUJPNZNXGCHGID-UHFFFAOYSA-N |
| PubChem CID | 8748 |
| ChEMBL | CHEMBL3184678 |
| ChEBI | CHEBI:132899 |
| EC No. | 205-342-6 |
| DTXSID | DTXSID7041209 |
| Lokaler Name | 1-Methyl-4-(1-methylvinyl)cyclohexan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 152 |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (p-Menth-8-en-1-ol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.930-0.9360.9170 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in water, alcohol, and oils(in ethanol) |
| Siedepunkt | 210 °C210°C (estimate) |
| Brechungsindex | 1.482-1.4851.4747 |
| Physical Description | colourless, slightly viscous liquid with a pungent woody-earthy odour |
| Schmelzpunkt | 32.5°C |
| FEMA | 3564 | P-MENTH-8-EN-1-OL |
| pKa (Säurekonstante) | 15.27±0.40(Predicted) |
| Geruch | at 10.00 % in dipropylene glycol. pungent earthy woody |
| Geruchsart | woody |
| JECFA Number | 374 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.02 |
| EPA chemische Informationen | .beta.-Terpineol (138-87-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 37.4% (55 of 147) of reports.WarningH315 (62.6%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 147 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanol, 1-methyl-4-(1-methylethenyl)-Beta-terpineol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Cyclohexanol, 1-methyl-4-(1-methylethenyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (62.6%)Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Occurrence
Reported found in citrus peel oils, orange and grapefruit juice, guava, ginger, nutmeg, thymus, cognac, mango, apple brandy, cardamom, dill herb and seed, laurel, rosemary, buchu oil, lemon balm, Roman chamomile oil and eucalyptus oil.