HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Tert-butylbenzylalkohol
Butylbenzylalcohol · RARECHEM AL BD 0269 · 4-teryt-Butylalcohol · 4(t-Butyl)benzylalcohol · P-T-BUTYLBENZYL ALCOHOL · 4-t-butoxybenzyl alcohol · 4-Tert-butylbenzylalkohol · 4-TERT-BUTYLBENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 877-65-6 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | CC(C)(C)c1ccc(CO)cc1 |
| InChIKey | FVEINXLJOJPHLH-UHFFFAOYSA-N |
| PubChem CID | 13416 |
| ChEBI | CHEBI:167335 |
| EC No. | 212-894-1 |
| DTXSID | DTXSID5061249 |
| Lokaler Name | 4-Tert-butylbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| Siedepunkt | 140 °C20 mm Hg(lit.) |
| Dichte | 0.928 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.517(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 14.51±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| pH | 7 (H2O) |
| Explosionsgrenze | 1.1-9.5%(V) |
| Löslichkeit | Soluble in alcohol and insoluble in water. |
| BRN | 1860665 |
| InChI | 1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
| InChIKey | FVEINXLJOJPHLH-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(CO)cc1 |
| LogP (Verteilungskoeffizient) | 2.761 (est) |
| CAS Datenbank | 877-65-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 4-(1,1-dimethylethyl)-(877-65-6) |
| EPA chemische Informationen | 4-(1,1-Dimethylethyl)benzenemethanol (877-65-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 4-(1,1-dimethylethyl)-4-t-Butylbenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-tert-Butylbenzyl alcohol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.