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HomeProduct name listBenzylacetone

Benzylacetone

Synonym(s):4-Phenyl-2-butanone;Benzylacetone;Methyl 2-phenethyl ketone;NSC 44829;NSC 813

  • CAS NO.:2550-26-7
  • Empirical Formula: C10H12O
  • Molecular Weight: 148.2
  • MDL number: MFCD00008790
  • EINECS: 219-847-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:52
Benzylacetone Structural

What is Benzylacetone?

Chemical properties

Clear colorless to pale yellowish liquid

Chemical properties

has 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.

The Uses of Benzylacetone

4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.

The Uses of Benzylacetone

4-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.

The Uses of Benzylacetone

4-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.

Preparation

Benzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.

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 Description

4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.

Safety Profile

Moderately 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.

Solubility in organics

soluble in alcohol and oils.

Properties of Benzylacetone

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.)
Flash point: 209 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol
form  Liquid
color  Clear colorless to pale yellow
Odor at 100.00 %. floral balsam
Water Solubility  PRACTICALLY INSOLUBLE
BRN  1907123
CAS DataBase Reference 2550-26-7(CAS DataBase Reference)
NIST Chemistry Reference 4-Phenyl-2-butanone(2550-26-7)
EPA Substance Registry System 2-Butanone, 4-phenyl- (2550-26-7)

Safety information for Benzylacetone

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H303:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P321:Specific treatment (see … on this label).
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for Benzylacetone

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