Benzylacetone

Benzylacetone Basic information
Product Name:Benzylacetone
Synonyms:METHYL PHENETHYL KETONE;METHYL 2-PHENYLETHYL KETONE;BENZYLACETONE;4-Phenyl-2-butanoine;4-phenyl-2-butanon;4-phenyl-2-butanone (benzyl acetone);Benzylacetone for synthesis;4-Penylbutan-2-one
CAS:2550-26-7
MF:C10H12O
MW:148.2
EINECS:219-847-4
Product Categories:Pharmaceutical Intermediates
Mol File:2550-26-7.mol
Benzylacetone Structure
Benzylacetone Chemical Properties
Melting point -13°C
Boiling point 235 °C(lit.)
density 0.989 g/mL at 25 °C(lit.)
vapor pressure 0.0386 hPa (20 °C)
refractive index n20/D 1.512(lit.)
Fp 209 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform, Methanol
form Liquid
color Clear colorless to pale yellow
Odorat 100.00 %. floral balsam
Odor Typefloral
Water Solubility PRACTICALLY INSOLUBLE
BRN 1907123
LogP2 at 25℃
CAS DataBase Reference2550-26-7(CAS DataBase Reference)
NIST Chemistry Reference4-Phenyl-2-butanone(2550-26-7)
EPA Substance Registry System2-Butanone, 4-phenyl- (2550-26-7)
Safety Information
Hazard Codes Xi
Risk Statements 38
Safety Statements 37-24/25
WGK Germany 1
RTECS EL9600000
TSCA Yes
HS Code 29143900
ToxicityLD50 orally in Rabbit: 3200 mg/kg
MSDS Information
ProviderLanguage
4-Phenyl-2-butanone English
SigmaAldrich English
ACROS English
ALFA English
Benzylacetone Usage And Synthesis
Chemical Propertieshas been identified as a volatile component of cocoa. Benzylacetone is a sweet-floral-smelling liquid, which can be prepared by selective hydrogenation of benzylidene acetone (from benzaldehyde and acetone). It is used in soap perfumes.
Chemical PropertiesClear colorless to pale yellowish liquid
Uses4-Phenyl-2-butanone be used as an attractant for melon flies and as an odorant for soap. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.
Uses4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.
Uses4-Phenyl-2-butanone may be used as an analytical standard for the determination of the analyte in volatile oils, as well as agarwood extracts of Aquilaria malaccensis, yeast cell culture, and biological samples by various chromatography based techniques.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 38, p. 2097, 1990 DOI: 10.1248/cpb.38.2097
Tetrahedron Letters, 25, p. 5467, 1984 DOI: 10.1016/S0040-4039(01)81600-2
General Description4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.
Safety ProfileModerately toxic by ingestion and intraperitoneal routes. An eye and severe skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
4-(1,3-Benzodioxol-5-yl)-2-butanone~3,4-(Methylenedioxy)benzylacetone 3-Oxobutanenitrile Benzyltriethylammonium chloride 2'-Hydroxy-3-phenylpropiophenone Benzalacetone Butyrophenone Phenylacetone Dibenzylideneacetone BENZYLACETONE, (4-PHENYL-2-BUTANONE) PHENYL VALERATE 2-ACETYL-1-TETRALONE 1-METHYL-2-TETRALONE TPCK Tris(dibenzylideneacetone)dipalladium Methoxyacetone 3-methoxy-4-hydroxy-benzylaceton BENZYL GLYCIDYL ETHER Benzylacetone ethylene acetal

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