HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Hydroxy-5-methylacetophenon
Ethanone,1-(2-hydroxy-5-methylphenyl)- · o-Acetyl-p-cresol · 1-(2-HYDROXY-5-METHYLPHENYL)ETHAN-1-ONE · 2'-Hydroxy-5'-methylacetophenone · 2-ACETYL-4-METHYLPHENOL · 2-HYDROXY-5-METHYLACETOPHENONE · 2-hydroxy-5,6-dimethyl acetophenone · 2'EOS-61730
Identifikatoren & physikalische Daten
| CAS No. | 1450-72-2 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | CC(=O)c1cc(C)ccc1O |
| InChIKey | YNPDFBFVMJNGKZ-UHFFFAOYSA-N |
| PubChem CID | 15068 |
| ChEMBL | CHEMBL4444601 |
| ChEBI | CHEBI:179659 |
| EC No. | 215-915-2 |
| DTXSID | DTXSID9061702 |
| Lokaler Name | 2-Hydroxy-5-methylacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | Chemical shift |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol)DMSO : 50 mg/mL (332.96 mMNeed ultrasonic)Insoluble in water. |
| Siedepunkt | 210.00 °C. @ 760.00 mm Hg112-114°C 12mm |
| Schmelzpunkt | 50 °C45-48 °C(lit.) |
| Physical Description | SolidColourless to pale yellow solidSweet heavy-floral somewhat herbaceous aroma |
| Dichte | 1.079 |
| Brechungsindex | 1.5369 (estimate) |
| FEMA | 4594 | 2-HYDROXY-5-METHYLACETOPHENONE |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 10.46±0.18(Predicted) |
| Farbe | Light orange to Yellow to Green |
| Geruch | at 1.00 % in dipropylene glycol. sweet heavy floral herbal |
| Geruchsart | floral |
| JECFA Number | 2045 |
| BRN | 1364840 |
| InChI | 1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3 |
| InChIKey | YNPDFBFVMJNGKZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(c1)C(C)=O |
| LogP (Verteilungskoeffizient) | 2.52 |
| CAS Datenbank | 1450-72-2(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(2-hydroxy-5-methylphenyl)-(1450-72-2) |
| EPA chemische Informationen | Ethanone, 1-(2-hydroxy-5-methylphenyl)- (1450-72-2) |
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 45 reports by companies from 5 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 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2'-Hydroxy-5'-methylacetophenone is used to produce 2-ethyl-4-methyl-phenol. It is used as an intermediate in organic synthesis.
Herstellung & Synthese
synthetische
Obtained by treatment of methyl 4-hydroxy-6-methyl-coumarin-3-carboxylate with potassium hydroxide at 200° (82%).