Grundinformationen
- Standard-SMILES
COc1ccc2ccccc2c1- InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N- Summenformel
- C11H10O
- Durchschnittliche Molmasse
- 158,2 g/mol
- Monoisotopische Masse
- 158,07316494
Überblick
2-Methoxynaphthalene is a member of naphthalenes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxynaphthalene
- IUPAC
- 2-methoxynaphthalene
- Lokaler Name
- Methyl-2-naphthylether
- Englischer Name
- 2-Methoxynaphthalene
- Summenformel
- C11H10O
- Molmasse
- 158.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
93-04-9- PubChem CID
- 7119
- DTXSID
DTXSID7044392- ChEMBL
CHEMBL195857- ChEBI
CHEBI:177835- UNII
- VX2T1Z50C4
- EC Number
- 202-213-6
- Nikkaji
- J4.667A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
LogP
3.47
3.47
Solubility
Insoluble in water, miscible in oils
soluble (in ethanol)
Physical Description
Large Crystals; CBI; Dry Powder; Liquid; Dry Powder; Liquid
Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
Solid
White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- 70 · 70-73 °C (lit.)
- Siedepunkt
- 274 °C · 274 °C (lit.)
- Dichte
- 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
- Dampfdruck
- 1.097 Pa · 1.097Pa at 25℃
- Brechungsindex
- 1.544 · 1.5440 (estimate)
- FEMA
- 4704 · 4704 | BETA-NAPHTHYL METHYL ETHER
- Flammpunkt
- 272 · 272-274°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 2 O: · H2O: soluble (completely)
- Aggregatzustand
- Crystalline Solid
- pka
- 0 · 0[at 20 ℃]
- Farbe
- White to yellow-brown
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. sweet naphthyl floral orange blossom acacia neroli
- Geruchsart
- naphthyl
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- INSOLUBLE
- Merck
- 14 · 14,5997
- JECFA Number
- 1257 · 1257
- BRN
- 1859408 · 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
- 3.318 at · 3.318 at 25℃
- CAS Datenbank
- 93 · 93-04-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Naphthalene, 2-methoxy-(93-04-9)
- EPA chemische Informationen
- 2 · Naphthalene, 2-methoxy- (93-04-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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/5694
2-Methoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29093090
- RTECS-Nr.
- QJ9468750
- Toxizität
- LD50 oral in rat: > 5gm/kg
- safety_code
- 22-24/25
- hazard_class
- 9
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Plastics Material and Resin Manufacturing
Naphthalene, 2-methoxy-: ACTIVE
Anwendungen
Beschreibungβ-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.
Verwenden2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).
Darstellung
synthetischeFrom postassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthlol with dimethyl sulfate or by direct esterification with methyl alcohol
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