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Methyl-2-naphthylether
NEROLIN YARA YARA · YARA YARA · NEROLINE YARA YARA · Naproxen Impurity M · METHYL 2-NAPHTHYL ETHER · YARA · Jara jara · 2-MethoxynaphthaL
Identifikatoren & physikalische Daten
| CAS No. | 93-04-9 |
|---|---|
| Summenformel | C11H10O |
| Durchschnittliche Molmasse | 158,2 g/mol |
| Monoisotopische Masse | 158,07316494 g/mol |
| SMILES | COc1ccc2ccccc2c1 |
| InChIKey | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
| PubChem CID | 7119 |
| ChEMBL | CHEMBL195857 |
| ChEBI | CHEBI:177835 |
| EC No. | 202-213-6 |
| DTXSID | DTXSID7044392 |
| Lokaler Name | Methyl-2-naphthylether |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 144 |
| Stoffklassen | Other Classes -> Naphthalenes |
| Polymers | Polycyclic aromatic compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance Ingredient (beta-Naphthyl methyl ether) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 3.47 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in water, miscible in oilssoluble (in ethanol)H2O: soluble (completely) |
| Siedepunkt | 274.00 °C. @ 760.00 mm Hg274 °C (lit.) |
| Schmelzpunkt | 72 °C70-73 °C (lit.) |
| Dampfdruck | 0.00823 [mmHg]1.097Pa at 25℃ |
| Physical Description | Large CrystalsCBIDry PowderLiquidSolid[Merck Index] White crystalline powder[Alfa Aesar MSDS]White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma |
| Dichte | 1.064 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5440 (estimate) |
| FEMA | 4704 | BETA-NAPHTHYL METHYL ETHER |
| Flammpunkt | 272-274°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Solid |
| pKa (Säurekonstante) | 0[at 20 ℃] |
| Farbe | White to yellow-brown |
| Geruch | at 1.00 % in dipropylene glycol. sweet naphthyl floral orange blossom acacia neroli |
| Geruchsart | naphthyl |
| Biologische Quelle | synthetic |
| Merck | 14,5997 |
| JECFA Number | 1257 |
| BRN | 1859408 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3 |
| InChIKey | LUZDYPLAQQGJEA-UHFFFAOYSA-N |
| SMILES | COc1ccc2ccccc2c1 |
| LogP (Verteilungskoeffizient) | 3.318 at 25℃ |
| CAS Datenbank | 93-04-9(CAS DataBase Reference) |
| NIST chemische Informationen | Naphthalene, 2-methoxy-(93-04-9) |
| EPA chemische Informationen | Naphthalene, 2-methoxy- (93-04-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 78.2% (1504 of 1923) of all reports.H411 (18.5%): 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 1923 reports by companies from 15 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Naphthalene, 2-methoxy-Regulation (EC) No 1831/2003 (amended)Naphthalene, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/56942-Methoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[JECFA] May cause irritation[Alfa Aesar MSDS] See Naphthalene. |
| Hazard Classes and Categories | Aquatic Chronic 2 (18.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29093090 |
| RTECS-Nr. | QJ9468750 |
| Toxizität | LD50 oral in rat: > 5gm/kg |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | 9Aquatic Chronic 2Eye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
β-Naphthyl methyl ether has an intensely sweet, floral odor suggestive of orange blossoms. It is free from naphthol by-odor. It has a sweet, strawberry taste. This may be prepared from potassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthol with dimethyl sulfate or by direct esterification with methyl alcohol.
Verwenden
2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).
Herstellung & Synthese
synthetische
From postassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthlol with dimethyl sulfate or by direct esterification with methyl alcohol