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2-Cyclohexylethanol
2-cyclohexylethan-1-ol · CYCLOHEXANEETHANOL · Cyclohexylethanol · CYCLOHEXYL ETHYL ALCOHOL · 2-Cyclohexyl · CYCLOHEXANETHANOL · 2-CYCLOHEXYETHANOL · 2-CYCLOHEXYLETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 4442-79-9 |
|---|---|
| Summenformel | C8H16O |
| Durchschnittliche Molmasse | 128,21 g/mol |
| Monoisotopische Masse | 128,12011513 g/mol |
| SMILES | OCCC1CCCCC1 |
| InChIKey | QJQZRLXDLORINA-UHFFFAOYSA-N |
| PubChem CID | 20508 |
| EC No. | 224-672-1 |
| DTXSID | DTXSID7063473 |
| Lokaler Name | 2-Cyclohexylethanol |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 65 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (2-Cyclohexylethyl alcohol) -> IFRA transparency List |
| Dichte | 0.9229 @ 20°C0.919 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 208 °C @760 [mm Hg]206-207 °C/745 mmHg (lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -20 °C |
| Dampfdruck | 0.2 hPa (25 °C) |
| Brechungsindex | n20/D 1.465(lit.) |
| Flammpunkt | 188 °F |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 15.19±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | A colourless oily liquid. |
| Geruch | at 100.00 %. floral waxy cool green peony lily dewy rose |
| Geruchsart | floral |
| Explosionsgrenze | 0.9-6.3%(V) |
| Löslichkeit | insoluble |
| BRN | 1848152 |
| InChI | 1S/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2 |
| InChIKey | QJQZRLXDLORINA-UHFFFAOYSA-N |
| SMILES | OCCC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 2.301 (est) |
| CAS Datenbank | 4442-79-9(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexaneethanol(4442-79-9) |
| EPA chemische Informationen | Cyclohexaneethanol (4442-79-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 308 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: CyclohexaneethanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/240282-Cyclohexylethanol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Cyclohexaneethanol: Environment tier I assessment |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[EFSA] An irritantHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Cyclohexanol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Protective Action Criteria (PAC) | 2.8 [mg/m3]31 [mg/m3]190 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29061900 |
| RTECS-Nr. | KK3528000 |
| R-Sätze (R) | 21/22 |
| Toxizität | LD50 orally in Rabbit: 940 mg/kg LD50 dermal Rabbit 1220 mg/kg |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-28-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 Oral |
Anwendungen & Verwendung
Occurrence
Has apparently not been reported to occur in nature
Verwenden
2-Cyclohexylethanol is a useful building block, and has recently been used in a green preparation of oxidative esterification of primary alcohols.
Herstellung & Synthese
synthetische
By catalytic hydrogenation of phenylethyl alcohol under pressure (Arctander, 1969).