Grundinformationen
- CAS
28315-93-7- Standard-SMILES
O=C1CCCc2c(O)cccc21- InChIKey
YPPZCRZRQHFRBH-UHFFFAOYSA-N- Summenformel
- C10H10O2
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,06807956
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydroxy-1-tetralone
- IUPAC
- 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
- Lokaler Name
- 1,2,3,4-Tetrahydro-5-hydroxynaphthalin-1-on
- Englischer Name
- 5-Hydroxy-1-tetralone
- Summenformel
- C10H10O2
- Molmasse
- 162.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
28315-93-7- PubChem CID
- 119921
- DTXSID
DTXSID0057700- ChEMBL
CHEMBL3561186- UNII
- 8605DD71BS
- EC Number
- 248-958-0
- Nikkaji
- J208.595J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 188
Physikochemische Eigenschaften
- Schmelzpunkt
- 206 · 206-209 °C (lit.)
- Siedepunkt
- 228.88 °C · 228.88°C (rough estimate)
- Dichte
- 1.0281 · 1.0281 (rough estimate)
- Brechungsindex
- 1.538 · 1.5380 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in alcohol, ether, benzene and acetic acid.
- Aggregatzustand
- Solid
- pka
- 9.37 · 9.37±0.20(Predicted)
- Farbe
- White to Off-White
- BRN
- 2437410 · 2437410
- InChI
- InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2
- InChIKey
- YPPZCRZRQHFRBH-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C(O)=CC=C2)CCC1
- CAS Datenbank
- 28315 · 28315-93-7(CAS DataBase Reference)
- NIST chemische Informationen
- 5 · 5-Hydroxy-1-tetralone(28315-93-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 3 notifications provided by 6 of 7 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Hydroxy-1-tetralone, is used as a metabolite of Levobunolol (L335000) and d-Bunolol (L335010). It is also used as a reagent for the determination of hexoses and oligosaccharides by a fluorescence technique. A reagent that is used for fluorescence determination of enzyme activity. Some of the other applications include as internal standard during HPLC determination of 4-hydroxymephenytoin (4-OH-M) in human urine, as fluorescent labeling reagent during micro detection of glycosphingolipid on TLC plates, in synthesis of 1,2,3,4-tetrahydro-5H-1-benzazepine-quinone derivatives, in synthesis of new chiral oxathiane.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…