Grundinformationen
- Standard-SMILES
Oc1ccc2c(c1)CCCC2- InChIKey
UMKXSOXZAXIOPJ-UHFFFAOYSA-N- Summenformel
- C10H12O
- Durchschnittliche Molmasse
- 148,2 g/mol
- Monoisotopische Masse
- 148,088815
Namen und Bezeichner
- Bevorzugter Name
- 5,6,7,8-Tetrahydro-2-naphthol
- IUPAC
- 5,6,7,8-tetrahydronaphthalen-2-ol
- Lokaler Name
- 5,6,7,8-Tetrahydro-2-naphthol
- Englischer Name
- 5,6,7,8-Tetrahydro-2-naphthol
- Summenformel
- C10H12O
- Molmasse
- 148.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1125-78-6、21664-09-5- PubChem CID
- 14305
- DTXSID
DTXSID50870851- ChEBI
CHEBI:34448- UNII
- TMR02I7N8S
- EC Number
- 214-410-4
- Nikkaji
- J7.268K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 133
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-61 °C (lit.)
- Siedepunkt
- 275 · 275-276 °C (lit.)
- Dichte
- 1.0552 · 1.0552
- Brechungsindex
- 1.5 · 1.5000 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 1.5 g/l · 1.5g/l
- Aggregatzustand
- Crystalling Mass
- pka
- 10.48 · 10.48(at 25℃)
- Farbe
- Beige
- Wasserlöslichkeit
- 1.5 g/L · 1.5g/L(20 ºC)
- BRN
- 1101302 · 1101302
- InChI
- 1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2
- InChIKey
- UMKXSOXZAXIOPJ-UHFFFAOYSA-N
- SMILES
- Oc1ccc2CCCCc2c1
- CAS Datenbank
- 1125 · 1125-78-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Naphthalenol, 5,6,7,8-tetrahydro-(1125-78-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29071900
- RTECS-Nr.
- QL5300000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5,6,7,8-Tetrahydro-2-naphthol was used as a model compound in the study of photochemical transformation of 17β-estradiol (natural estrogenic steroid) and 17α-ethinylestradiol (synthetic oral contraceptive).
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Vorgelagerte Rohstoffe
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Ergänzende Hinweise
DefinitionChEBI: A member of the class tetralins that is 1,2,3,4-tetrahydronaphthalene which is substituted at position 6 by a hydroxy group.
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