4-Phenylbutan-2-on
Benzyl acetone
Grundinformationen
- CAS
2550-26-7- Standard-SMILES
CC(=O)CCc1ccccc1- InChIKey
AKGGYBADQZYZPD-UHFFFAOYSA-N- Summenformel
- C10H12O
- Durchschnittliche Molmasse
- 148,2 g/mol
- Monoisotopische Masse
- 148,088815
Überblick
4-phenylbutan-2-one is a ketone.
Namen und Bezeichner
- Bevorzugter Name
- Benzyl acetone
- IUPAC
- 4-phenylbutan-2-one
- Lokaler Name
- 4-Phenylbutan-2-on
- Englischer Name
- Benzylacetone
- Summenformel
- C10H12O
- Molmasse
- 148.2
Namen und Synonyme
Benzyl acetoneRefChem:118924BENZYLACETONE4-Phenylbutan-2-one2550-26-74-Phenyl-2-butanone4-Penylbutan-2-one2-Butanone, 4-phenyl-1-Phenyl-3-butanoneMethyl phenethyl ketonePhenethyl methyl ketoneMethyl 2-phenylethyl ketone
Weitere Namen anzeigen
Benzylaceton4-phenylbutanone4-phenyl-2-butanon4-methyl benzyl acetone
4-Phenyl-butan-2-oneMethyl phenylethyl ketoneMFCD00008790NSC 8132-Phenylethyl methyl ketoneNSC 44829DTXSID6033241UZM5QH16YW
Datenbank-Bezeichner
- CAS
2550-26-7- PubChem CID
- 17355
- DTXSID
DTXSID6033241- ChEMBL
CHEMBL1490851- ChEBI
CHEBI:195507- UNII
- UZM5QH16YW
- EC Number
- 219-847-4
- Nikkaji
- J31.102B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 123
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Benzyl acetone) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical Description
Dry Powder; Liquid; Liquid
Clear colorless liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -13 °C · -13°C
- Siedepunkt
- 235 °C · 235 °C(lit.)
- Dichte
- 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.0386 hPa · 0.0386 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.512(lit.)
- Flammpunkt
- 209 °F · 209 °F
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 97% (1571 of 1619) of all reports.
Not Classified
Aggregated GHS information provided per 1619 reports by companies from 6 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Butanone, 4-phenyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Butanone, 4-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanone, 4-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12477
Benzylacetone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA severe skin irritant; [RTECS] Can cause severe irritation or burns to skin; [Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 10 consumer products that contain Benzyl Acetone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2-Butanone, 4-phenyl-: ACTIVE
Anwendungen
Verwenden4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.
Darstellung
synthetischeBenzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
97
Notizen zur Verbindung
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