Grundinformationen
- Standard-SMILES
CCCCOc1cccc(O)c1- InChIKey
VGIJZDWQVCXVNL-UHFFFAOYSA-N- Summenformel
- C10H14O2
- Durchschnittliche Molmasse
- 166,22 g/mol
- Monoisotopische Masse
- 166,09937969
Namen und Bezeichner
- Bevorzugter Name
- 3-Butoxyphenol
- IUPAC
- 3-butoxyphenol
- Lokaler Name
- 3-Butoxyphenol
- Englischer Name
- 3-Butoxyphenol
- Summenformel
- C10H14O2
- Molmasse
- 166.22
Namen und Synonyme
3-Butoxyphenol18979-72-1EINECS 242-715-2DTXSID70172405NSC 35992RefChem:499489DTXCID7094896242-715-2Phenol, 3-butoxy-Resorcinol Monobutyl EtherButylResorcinol-d9MFCD00058976
Weitere Namen anzeigen
butoxyphenolP-BUTOXYPHENOL4-BUTYLOXYPHENOL4-N-BUTYLOXYPHENOL3-Butoxyphenol >3-BUTOXYPHENOL 96+%4-NORMAL-BUTOXYPHENOL
NSC-35992m-butoxyphenol1190021-40-93-butoxy-phenol3-n-butoxyphenol3-Butoxyphenol #3-n-butyloxyphenolNSC35992
Datenbank-Bezeichner
- CAS
18979-72-1- PubChem CID
- 87876
- DTXSID
DTXSID70172405- UNII
- WV88G9792E
- EC Number
- 242-715-2
- Nikkaji
- J150.339A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 114
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
LogP3.03
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 · 65-66 °C(lit.)
- Siedepunkt
- 269 °C · 269 °C
- Dichte
- 1 · 1,05 g/cm3
- Brechungsindex
- 1.523 · 1.5230-1.5260
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- pka
- 9.61 · 9.61±0.10(Predicted)
- Farbe
- Colorless to Light orange to Yellow
- Wasserlöslichkeit
- 1.37 g/L · 1.37g/L(30 ºC)
- InChIKey
- VGIJZDWQVCXVNL-UHFFFAOYSA-N
- CAS Datenbank
- 18979 · 18979-72-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- ridadr
- 1760
- hs_code
- 2909500090
- risk_code
- 22-37/38-40-41-43-52/53
- hazard_code
- Xn
- safety_code
- 26-36/37/39-61
Chemie und Industrie
Anwendungen
Verwenden3-Butoxyphenol is an inhibitor of oral bacteria. Antibacterial agent.
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