Grundinformationen
- CAS
89-74-7- Standard-SMILES
CC(=O)c1ccc(C)cc1C- InChIKey
HSDSKVWQTONQBJ-UHFFFAOYSA-N- Summenformel
- C10H12O
- Durchschnittliche Molmasse
- 148,2 g/mol
- Monoisotopische Masse
- 148,088815
Überblick
2',4'-Dimethylacetophenone is an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethylacetophenone
- IUPAC
- 1-(2,4-dimethylphenyl)ethanone
- Lokaler Name
- 2',4'-Dimethylacetophenon
- Englischer Name
- 2',4'-Dimethylacetophenone
- Summenformel
- C10H12O
- Molmasse
- 148.2
Namen und Synonyme
2',4'-Dimethylacetophenone89-74-72,4-DimethylacetophenoneAcetyl-m-xyleneEthanone, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)ethan-1-oneAcetophenone, 2',4'-dimethyl-FEMA No. 2387Methyl 2,4-dimethylphenyl ketone8K29ME27YAEINECS 201-935-9NSC 15333
Weitere Namen anzeigen
1-(2,4-dimethylphenyl)-EthanoneFEMA 2387ASISCHEM D292574-ACETYL-M-XYLENE4-Acetyl-m-xyletnDiMethylacetophenonePiribedil Impurity 20
NSC-15333AI3-208012,4-DIMETHYLACETOPHENONE [FHFI]RefChem:443769Methyl 2,4 dimethylphenyl ketone201-935-91-(2,4-DIMETHYLPHENYL)ETHANONE2,4-dimethylacetophenon
Datenbank-Bezeichner
- CAS
89-74-7- PubChem CID
- 6985
- DTXSID
DTXSID9058997- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-0.999
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
117.00 to 118.00 °C. @ 18.00 mm Hg
228 °C
Refractive Index1.532-1.536
Physical Descriptioncolourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour
Physikochemische Eigenschaften
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
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 1-(2,4-dimethylphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29143990
- risk_code
- 36-20/22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Harmful
- safety_code
- 39-26-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(2,4-dimethylphenyl)-: INACTIVE
Anwendungen
OccurrenceReported found in cinnamon bark, wine, tea, watercress and dried bonito.
Darstellung
synthetischeBy condensation of acetylchloride and m-xylene in the presence of aluminum chloride or in the presence of ferric chloride
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
3
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