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Methyl-1-naphthylether
1-Methoxynaphtalene · 1-Methoxynapthalene · 1-Methoxy · 1-Methoxyphthalene · I-Methoxynaphthalin · 1-METHOXYNAPHTHALENE · 1-methoxy-naphthalen · 1-METHOXYNAPHTHYLENE
Identifikatoren & physikalische Daten
| CAS No. | 2216-69-5 |
|---|---|
| Summenformel | C11H10O |
| Durchschnittliche Molmasse | 158,2 g/mol |
| Monoisotopische Masse | 158,07316494 g/mol |
| SMILES | COc1cccc2ccccc12 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| PubChem CID | 16668 |
| EC No. | 218-696-1 |
| DTXSID | DTXSID5062263 |
| Lokaler Name | Methyl-1-naphthylether |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 144 |
| Kovats Retention Index | 1403143421352143 |
| Schmelzpunkt | 5 °C |
| Siedepunkt | 135-137 °C/12 mmHg (lit.) |
| Dichte | 1.09 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.621(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanolimmiscible |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless to Yellow |
| Wichte | 1.1 |
| BRN | 7748884 |
| InChI | 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| SMILES | COc1cccc2ccccc12 |
| LogP (Verteilungskoeffizient) | 3.450 |
| CAS Datenbank | 2216-69-5(CAS DataBase Reference) |
| NIST chemische Informationen | Naphthalene, 1-methoxy-(2216-69-5) |
| EPA chemische Informationen | Naphthalene, 1-methoxy- (2216-69-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Naphthalene, 1-methoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG III |
| Zollcode | 29093090 |
| RTECS-Nr. | QJ9465500 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Methoxynaphthalene is used in the study of peroxygenase activity of cytochrome c peroxidase. It is used as a precursor to synthesize prenyl naphthalene-ols, which shows antioxidative activity. It is also used in organic synthesis, pesticides, perfumes for making soaps, and film developers.
Herstellung & Synthese
synthetische
1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.