HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-tert-Butylphenethyl alcohol
p-tert-Butylphenetanol · 4-tert-Butylphenethanol · 2-(4-tert-Butylphenyl)ethano · 4-TERT-BUTYLPHENETHYL ALCOHOL · 2-(4-tert-Butylphenyl)ethanol · 4-(tert-Butyl)-benzeneethanol · P-TERT-BUTYL PHENETHYL ALCOHOL · p-(tert-butyl)-phenethylalcoho
Identifikatoren & physikalische Daten
| CAS No. | 5406-86-0 |
|---|---|
| Summenformel | C12H18O |
| Durchschnittliche Molmasse | 178,27 g/mol |
| Monoisotopische Masse | 178,1357652 g/mol |
| SMILES | CC(C)(C)c1ccc(CCO)cc1 |
| InChIKey | NZGMMENPUKHODD-UHFFFAOYSA-N |
| PubChem CID | 79410 |
| EC No. | 410-020-5 |
| DTXSID | DTXSID40202384 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 32-35°C |
| Siedepunkt | 141-143°C 15mm |
| Dichte | 0,975 g/cm3 |
| Brechungsindex | 1.5209 |
| Flammpunkt | 141-143°C/15mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.93±0.10(Predicted) |
| Farbe | Off-White to Pale Yellow Waxy |
| BRN | 2246595 |
| InChI | 1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3 |
| InChIKey | NZGMMENPUKHODD-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(CCO)cc1 |
| CAS Datenbank | 5406-86-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318: Causes serious eye damage [Danger Serious eye damage/eye irritation]P203, P260, P264+P265, P273, P280, P305+P354+P338, P317, P318, P319, P391, P405, and P501 (click each P-code to see the statement)H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9146 |
| Hazard Classes and Categories | Eye Dam. 1 (100%)Reproductive toxicity - category 2Repr. 2 |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3077 |
| Zollcode | 2906290090 |
| RTECS-Nr. | SG7875000 |
| R-Sätze (R) | 41-48/22-51/53-62-52 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 26-36/37/39-61 |
| Gefahrenklasse | 9Aquatic Chronic 2Eye Dam. 1Repr. 2STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-(4-tert-Butylphenyl)ethanol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an intermediate in organic synthesis.