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1,2,3,4-Tetrahydro-4-methylnaphthalin-1-on
4-methyl-3,4-dihydronaphthalen-1(2H)-one · 4-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE · 4-Methyltetralone. · TIMTEC-BB SBB008494 · 4-METHYL-1-TETRALONE · 4-Methyltetralin-1-one · 4-Methyl-1-tetralone 97% · 4-Methyl-1-tetralone,97%
Identifikatoren & physikalische Daten
| CAS No. | 19832-98-5 |
|---|---|
| Summenformel | C11H12O |
| Durchschnittliche Molmasse | 160,21 g/mol |
| Monoisotopische Masse | 160,088815 g/mol |
| SMILES | CC1CCC(=O)c2ccccc21 |
| InChIKey | SRLHDEROUKFEMJ-UHFFFAOYSA-N |
| PubChem CID | 89232 |
| EC No. | 243-355-9 |
| DTXSID | DTXSID601315410 |
| Lokaler Name | 1,2,3,4-Tetrahydro-4-methylnaphthalin-1-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 |
| Siedepunkt | 95 °C1 mm Hg(lit.) |
| Dichte | 1.078 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.56(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| Löslichkeit | Not miscible or difficult to mix in water. |
| InChI | 1S/C11H12O/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3 |
| InChIKey | SRLHDEROUKFEMJ-UHFFFAOYSA-N |
| SMILES | CC1CCC(=O)c2ccccc12 |
| CAS Datenbank | 19832-98-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1(2H)-Naphthalenone, 3,4-dihydro-4-methyl-(19832-98-5) |
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-4-methyl- |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29143990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-22 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Methyl-1-tetralone is an important intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.