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3,5-Dimethylcyclohexan-1-ol
Cyclohexanol, 3,5-dimethyl- · Nsc21130 · HEXAHYDRO-M-5-XYLENOL · 3,5-diMethylcyclohe×anol · 3,5-Dimethylcyclohexanol · 3,5-Dimethylcyclohexanol,c&t · 3,5-DiMethylcyclohexanol 1-HYDROXY-3,5-DIMETHYLCYCLOHEXANE · 3 5-DIMETHYLCYCLOHEXANOL 95% MIXTURE &
Identifikatoren & physikalische Daten
| CAS No. | 17373-17-0 |
|---|---|
| Summenformel | C8H16O |
| Durchschnittliche Molmasse | 128,21 g/mol |
| Monoisotopische Masse | 128,12011513 g/mol |
| SMILES | CC1CC(C)CC(O)C1 |
| InChIKey | WIYNOPYNRFPWNB-UHFFFAOYSA-N |
| PubChem CID | 21584 |
| ChEBI | CHEBI:88850 |
| EC No. | 226-630-8 |
| DTXSID | DTXSID20871133 |
| Lokaler Name | 3,5-Dimethylcyclohexan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80 |
| Kovats Retention Index | 972974180910531025 |
| Schmelzpunkt | 11-12 °C(lit.) |
| Siedepunkt | 185-186 °C(lit.) |
| Dichte | 0.892 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.455(lit.) |
| Flammpunkt | 164 °F |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | almost transparency in Methanol |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 15.33±0.60(Predicted) |
| Farbe | White or Colorless to Almost white or Almost colorless |
| BRN | 2036694 |
| LogP (Verteilungskoeffizient) | 2.353 (est) |
| CAS Datenbank | 5441-52-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2906190090 |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Verwenden
3,5-Dimethylcyclohexanol may be used in the preparation of 1-chloro-3,5-dimethylcyclohexane.