Grundinformationen
- Standard-SMILES
COc1cccc2c1CCCC2=O- InChIKey
BRCPWISABURVIH-UHFFFAOYSA-N- Summenformel
- C11H12O2
- Durchschnittliche Molmasse
- 176,21 g/mol
- Monoisotopische Masse
- 176,08372962
Namen und Bezeichner
- Bevorzugter Name
- 5-Methoxytetralone
- IUPAC
- 5-methoxy-3,4-dihydro-2H-naphthalen-1-one
- Lokaler Name
- 5-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on
- Englischer Name
- 5-Methoxy-3,4-dihydro-2H-naphthalen-1-one
- Summenformel
- C11H12O2
- Molmasse
- 176.21
Namen und Synonyme
5-Methoxy-1-tetralone33892-75-05-methoxytetralone1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-5-METHOXY-5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-onealpha-Tetralone, 5-methoxy-EINECS 251-723-575E8EE6Y3XNSC 310000BRN 20473833,4-Dihydro-5-methoxy-1(2H)-naphthalenoneDTXSID70187514
Weitere Namen anzeigen
4-dihydro-5-Methoxy-5-methoxytetralin-1-one5-Methoxy-1-tetralone>5-METHOXY-1-TETRALONE 97%5-Methoxy-1-tetralone,97%6-Methoxy-2-tetralone-97%5-METHOXY-1-TETRALONE TECH 94+%
NSC-3100004-08-00-00903 (Beilstein Handbook Reference)5-METHOXY-1,2,3,4-TETRAHYDRO-1-OXONAPHTHALENERefChem:536765DTXCID30110005251-723-55-methoxy-3,4-dihydronaphthalenone5-methoxy-3,4-dihydronaphthalen-1(2H)-one
Datenbank-Bezeichner
- CAS
33892-75-0- PubChem CID
- 36620
- DTXSID
DTXSID70187514- UNII
- 75E8EE6Y3X
- EC Number
- 251-723-5
- Nikkaji
- J42.442K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 200
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-91 °C(lit.)
- Siedepunkt
- 160 · 160-162 °C7 mm Hg(lit.)
- Dichte
- 1.0431 · 1.0431 (rough estimate)
- Brechungsindex
- 1.56 · 1.5600 (estimate)
- Flammpunkt
- 160 · 160-162°C/7mm
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- BRN
- 2047383 · 2047383
- InChI
- InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3
- InChIKey
- BRCPWISABURVIH-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(OC)=CC=C2)CCC1
- CAS Datenbank
- 33892 · 33892-75-0(CAS DataBase Reference)
- NIST chemische Informationen
- 5 · 5-Methoxy-1-tetralone(33892-75-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2914390090
- RTECS-Nr.
- QK4800000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Methoxy-1-tetralone is used in the preparation of hydroxy ketone.
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