2-Hydroxy-1-phenylethan-1-on
alpha-Hydroxyacetophenone
Grundinformationen
- CAS
582-24-1- Standard-SMILES
O=C(CO)c1ccccc1- InChIKey
ZWVHTXAYIKBMEE-UHFFFAOYSA-N- Summenformel
- C8H8O2
- Durchschnittliche Molmasse
- 136,15 g/mol
- Monoisotopische Masse
- 136,05242949
Überblick
2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alpha-hydroxy ketone, a primary alcohol and a monohydroxyacetophenone.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Hydroxyacetophenone
- IUPAC
- 2-hydroxy-1-phenylethanone
- Lokaler Name
- 2-Hydroxy-1-phenylethan-1-on
- Englischer Name
- 2-Hydroxyacetophenone
- Summenformel
- C8H8O2
- Molmasse
- 136.15
Namen und Synonyme
582-24-1Ethanone, 2-hydroxy-1-phenyl-alpha-HydroxyacetophenoneMethanol, benzoyl-Acetophenone, 2-hydroxy-omega-Hydroxyacetophenone1-Phenyl-2-hydroxyethanoneDQ1N9R01IADTXSID7060388RefChem:915524DTXCID90423382-Hydroxy-1-phenylethan-1-one
Weitere Namen anzeigen
2-Hydroxy-1-phenylethanoneBENZOYLCARBINOLGlycolophenonePHENACYL ALCOHOLRARECHEM AL BD 03842-hydroxy-1-ethanone2-Hydroxyacetophenone
Hydroxymethyl phenyl ketone(Hydroxyacetyl)benzene.alpha.-Hydroxyacetophenone.omega.-HydroxyacetophenoneMFCD000418292-Phenyl-2-oxoethanolNSC 171232Acetophenone, .alpha.-hydroxy-
Datenbank-Bezeichner
- CAS
582-24-1- PubChem CID
- 68490
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 114
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-89 °C (lit.)
- Siedepunkt
- 126 °C · 126 °C / 12mmHg
- Dichte
- 1.0963 · 1.0963
- Brechungsindex
- 1.547 · 1.5470 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.09 · 13.09±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Slightly yellow to orange
- Wasserlöslichkeit
- Soluble in water, ether, ethanol, chloroform.
- InChI
- 1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
- InChIKey
- ZWVHTXAYIKBMEE-UHFFFAOYSA-N
- SMILES
- OCC(=O)c1ccccc1
- LogP
- 0.721 · 0.721 (est)
- CAS Datenbank
- 582 · 582-24-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29144000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationEthanone, 2-hydroxy-1-phenyl-: INACTIVE
Anwendungen
Verwenden2-Hydroxyacetophenone can be used to produce 2-hydroxy-1-phenyl-ethanone-(1)-oxime by heating. It is used as pharmaceutical intermediate.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: 2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy ketone and a monohydroxyacetophenone.
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