Grundinformationen
- Standard-SMILES
COc1cccc2ccccc12- InChIKey
NQMUGNMMFTYOHK-UHFFFAOYSA-N- Summenformel
- C11H10O
- Durchschnittliche Molmasse
- 158,2 g/mol
- Monoisotopische Masse
- 158,07316494
Namen und Bezeichner
- Bevorzugter Name
- 1-Methoxynaphthalene
- IUPAC
- 1-methoxynaphthalene
- Lokaler Name
- Methyl-1-naphthylether
- Englischer Name
- 1-Methoxynaphthalene
- Summenformel
- C11H10O
- Molmasse
- 158.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2216-69-5- PubChem CID
- 16668
- DTXSID
DTXSID5062263- UNII
- DG2EOL57LF
- EC Number
- 218-696-1
- Nikkaji
- J7.365B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- 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
Kovats Retention Index
1403
1434
2135;2143
Physikochemische Eigenschaften
- Schmelzpunkt
- 5 °C · 5 °C
- Siedepunkt
- 135 · 135-137 °C/12 mmHg (lit.)
- Dichte
- 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.621(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Oil
- Farbe
- Clear Colorless to Yellow
- Wichte
- 1.1 · 1.1
- Wasserlöslichkeit
- immiscible
- BRN
- 7748884 · 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
- 3.45 · 3.450
- CAS Datenbank
- 2216 · 2216-69-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Naphthalene, 1-methoxy-(2216-69-5)
- EPA chemische Informationen
- 1 · Naphthalene, 1-methoxy- (2216-69-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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/21479
Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
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/21479
Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG III
- hs_code
- 29093090
- RTECS-Nr.
- QJ9465500
- safety_code
- 23-24/25
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1-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.
Darstellung
synthetische1-Methoxynaphthalene can be obtained by methylating 1-naphthol, and the methylating reagent can be selected from methyl trifluoroacetate, dimethyl carbonate and dimethyl sulfate.
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