HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Isopropyl-m-kresol
5-isopropyl-m-cresol · 5-Isopropyl-3-methylphenol · 3-isopropyl-5-methyl-phenol · 3-METHYL-5-ISOPROPYL PHENOL · 5-ISOPROPYL-3-METHYLPHENOL 98% · 3-methyl-5-(1-methylethyl)-pheno · 3-Methyl-5-(1-methylethyl)phenol · Phenol, 3-methyl-5-(1-methylethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 3228-03-3 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | Cc1cc(O)cc(C(C)C)c1 |
| InChIKey | ZDUIHRJGDMTBEX-UHFFFAOYSA-N |
| PubChem CID | 72855 |
| EC No. | 221-762-2 |
| DTXSID | DTXSID6062915 |
| Lokaler Name | 5-Isopropyl-m-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 120 |
| Schmelzpunkt | 49-51 °C(lit.) |
| Siedepunkt | 241°C |
| Dichte | 0.9688 (estimate) |
| Brechungsindex | 1.5106 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 10.14±0.10(Predicted) |
| Aggregatzustand | Gel |
| Farbe | Off-White |
| CAS Datenbank | 3228-03-3(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 3-methyl-5-(1-methylethyl)- (3228-03-3) |
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 101 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1759 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
5-Isopropyl-3-methylphenol is a derivative of Carvacrol (C184600); a major phenolic component of oregano oil and a novel inhibitor of the Mycobacterium tuberculosis (MTB) chorismate mutase (CM) enzyme.