Benzoylacetone
Synonym(s):1-Phenyl-1,3-butanedione;Benzoylacetone
- CAS NO.:93-91-4
- Empirical Formula: C10H10O2
- Molecular Weight: 162.19
- MDL number: MFCD00008786
- EINECS: 202-286-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 20:33:22
What is Benzoylacetone?
Chemical properties
Benzoylacetone is a yellowish crystalline flakes or White prismatic crystals and has balsamic odor type of medium strength. M.P: 61℃.
B.P: 261℃. Sp.Gr. (liquid) = 1.09. Soluble in hot water, soluble in cold alcohol
and oils. Faint, but very tenacious balsamic-sweet,
Vanilla-1ike odor of "oriental" fragrance type. Benzoyl acetone is widely used in cosmetic industry, as a flavour and fragrance agent.
Benzoylacetone is formed together with acetophenon and benzoic acid when benzoylacetic acid is boiled with water. It is also a product of the action of sodium ethylate on a mixture of acetone and ethyl benzoate.
The Uses of Benzoylacetone
Benzoylacetone has been used as a 1,3-dicarbonyl compound model for studying keto-enol equilibria in aqueous acid and micellar solutions. Additionally, it has been studied using gas-phase electron diffraction and quantum chemistry. It is used as pharmaceutical intermediates.
Preparation
From Acetophenone plus Ethylacetate plus Sodium ethoxide, or directly by Acetylation of Acetophenone.
Synthesis Reference(s)
Chemistry Letters, 9, p. 257, 1980
Journal of the American Chemical Society, 75, p. 626, 1953 DOI: 10.1021/ja01099a031
Tetrahedron Letters, 37, p. 3885, 1996 DOI: 10.1016/0040-4039(96)00689-2
Safety Profile
Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.
Purification Methods
Crystallise benzoylacetone from Et2O or MeOH and dry it under vacuum at 40o. [Beilstein 7 IV 2151.]
Properties of Benzoylacetone
Melting point: | 54-56 °C(lit.) |
Boiling point: | 260-262°C |
Density | 1.09 g/mL at 25 °C(lit.) |
refractive index | 1.5678 (estimate) |
Flash point: | 260-262°C |
storage temp. | Store below +30°C. |
solubility | 0.38g/l insoluble |
pka | pK1: 8.23 (25°C) |
form | Crystalline Flakes or Crystalline Powder |
Specific Gravity | 1.09 |
color | Yellow |
Odor | at 100.00 %. acetophenone balsam woody dry opoponax vanilla |
Water Solubility | insoluble |
BRN | 742413 |
Dielectric constant | 3.8(20℃) |
CAS DataBase Reference | 93-91-4(CAS DataBase Reference) |
NIST Chemistry Reference | 1,3-Butanedione, 1-phenyl-(93-91-4) |
EPA Substance Registry System | 1,3-Butanedione, 1-phenyl- (93-91-4) |
Safety information for Benzoylacetone
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Benzoylacetone
Abamectin manufacturer
Syn Finechem Laboratories Pvt Ltd.
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