Grundinformationen
- Standard-SMILES
CCC(=O)c1ccc(CC)cc1- InChIKey
VGQRIILEZYZAOE-UHFFFAOYSA-N- Summenformel
- C11H14O
- Durchschnittliche Molmasse
- 162,23 g/mol
- Monoisotopische Masse
- 162,10446507
Namen und Bezeichner
- Bevorzugter Name
- 1-(4-Ethylphenyl)propan-1-one
- IUPAC
- 1-(4-ethylphenyl)propan-1-one
- Englischer Name
- 4'-Ethylpropiophenone
- Summenformel
- C11H14O
- Molmasse
- 162.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
27465-51-6- PubChem CID
- 583750
- DTXSID
DTXSID40342678- EC Number
- 855-221-2
- Nikkaji
- J68.574G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 143
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 246 °C · 246 °C
- Dichte
- 0.98 · 0.98
- Brechungsindex
- 1.522 · 1.5220-1.5260
- storage temp.
- Sealed in dry,Room Temperature
- Wichte
- 0.98 · 0.98
- InChI
- InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
- InChIKey
- VGQRIILEZYZAOE-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(CC)C=C1)(=O)CC
- CAS Datenbank
- 27465 · 27465-51-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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
Sicherheitsdaten
- hs_code
- 29143990
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Beschreibung4'-Ethylpropiophenone is a synthetic chemical that belongs to the class of piperidine hydrochloride. It emits light when it reacts with inorganic acid and has a constant for its wavelength. It is synthesized by the reaction of crambidae with molybdenum, which results in the formation of hydroxyl group and chloride. The compound can be dehydrated by reacting with hydroxyl group and chloride, which leads to its formation. 4'-Ethylpropiophenone has been shown to have an effect on lepidoptera larvae, acting as an insecticide, but has not been studied for effects on humans or other mammals.
VerwendenAn impurity of Eperisone (E565800) as muscle relaxant and analgesic.
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