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3,4-Dihydro-7-methylnaphthalin-1(2H)-on
7-Methyl-3,4-dihydronaphthalen-1(2H)-one · 4-dihydro-7-Methyl- · 7-METHYL-1-TETRALONE · 3,4-dihydro-7-methyl naphthalenone · 7-Methyl-3,4-dihydronaphthalen-1(2H) · 3,4-dihydro-7-methyl-1(2h)-naphthalenon · 7-Methyl-3,4-dihydro-2H-naphthalen-1-one · 3,4-dihydro-7-methylnaphthalen-1(2H)-one
Identifikatoren & physikalische Daten
| CAS No. | 22009-37-6 |
|---|---|
| Summenformel | C11H12O |
| Durchschnittliche Molmasse | 160,21 g/mol |
| Monoisotopische Masse | 160,088815 g/mol |
| SMILES | Cc1ccc2c(c1)C(=O)CCC2 |
| InChIKey | GGMYZZBVIWUXEC-UHFFFAOYSA-N |
| PubChem CID | 89147 |
| EC No. | 244-717-9 |
| DTXSID | DTXSID0066747 |
| Lokaler Name | 3,4-Dihydro-7-methylnaphthalin-1(2H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 185 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 35-36 °C |
| Siedepunkt | 143-145 °C(Press: 15 Torr) |
| Dichte | 1.074±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DichloromethaneEthyl Acetate |
| Aggregatzustand | Solid |
| Farbe | Yellow-orange |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3 |
| InChIKey | GGMYZZBVIWUXEC-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC(C)=C2)CCC1 |
| LogP (Verteilungskoeffizient) | 1.684 (est) |
| EPA chemische Informationen | 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl- (22009-37-6) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl- |
| Weitere Sicherheitsinformationen | IMAP assessments - 1(2H)-Naphthalenone, 3,4-dihydro-7-methyl-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914390090 |
Anwendungen & Verwendung
Beschreibung
7-Methyl-1-tetralone belongs to ketone derivatives and can be used as intermediates in organic synthesis.
Verwenden
7-Methyltetralone is an intermediate in the synthesis of (±)-cis-Calamenene (~7:1 ratio of cis/trans) (C124900), a sesquiterpene and a volatile metabolite from Salvia fruticosa plants. This compound may be a potentialantimicrobial, antifungal, and anti-inflammatory agent.