HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Cyclohexylphenol
Phenol, 2-cyclohexyl- · 2-cyclohexyl-pheno · O-CYCLOHEXYLPHENOL · 2-Cyclohexylphenol · Phenol, o-cyclohexyl- · 2-Cyclohexylphenol >2-HYDROXYPHENYLCYCLOHEXANE
Identifikatoren & physikalische Daten
| CAS No. | 119-42-6 |
|---|---|
| Summenformel | C12H16O |
| Durchschnittliche Molmasse | 176,25 g/mol |
| Monoisotopische Masse | 176,12011513 g/mol |
| SMILES | Oc1ccccc1C1CCCCC1 |
| InChIKey | MVRPPTGLVPEMPI-UHFFFAOYSA-N |
| PubChem CID | 8396 |
| ChEMBL | CHEMBL1812771 |
| EC No. | 204-322-4 |
| DTXSID | DTXSID2059487 |
| Lokaler Name | 2-Cyclohexylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 149 |
| Stoffklassen | Other Classes -> Phenols |
| SpringerMaterials Properties | Dielectric constant |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 56°C |
| Siedepunkt | 284 °C |
| Dichte | 0.9452 (rough estimate) |
| Brechungsindex | 1.5415 (estimate) |
| Flammpunkt | 134℃ |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.41±0.30(Predicted) |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | 83.33mg/L(25 ºC) |
| InChI | InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2 |
| InChIKey | MVRPPTGLVPEMPI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC=C1C1CCCCC1 |
| CAS Datenbank | 119-42-6(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 2-cyclohexyl- (119-42-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 2-cyclohexyl-Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21008Phenol, 2-cyclohexyl-: 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. |
| Gefahrenübersicht | An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (66.7%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29071990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
2-Cyclohexylphenol is a reagent used in the synthesis of thyroid hormone receptor β-agonists.