Benzoylacetone
- CAS No.
- 93-91-4
- Chemical Name:
- Benzoylacetone
- Synonyms
- 1-PHENYL-1,3-BUTANEDIONE;1-BENZOYLACETONE;1-phenyl-butane-1,3-dione;AURORA 9175;Benzoyl-aceton;BENZOYLACETONE;A-ACETYLHYPNONE;Benzoylpropanone;-1,3-butanedione;AKOS BBS-00004232
- CBNumber:
- CB7332014
- Molecular Formula:
- C10H10O2
- Molecular Weight:
- 162.19
- MOL File:
- 93-91-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/6/11 8:54:12
| 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 |
| form | Crystalline Flakes or Crystalline Powder |
| pka | pK1: 8.23 (25°C) |
| color | Yellow |
| Specific Gravity | 1.09 |
| Odor | at 100.00 %. acetophenone balsam woody dry opoponax vanilla |
| Odor Type | balsamic |
| Water Solubility | insoluble |
| BRN | 742413 |
| Dielectric constant | 3.8（20℃） |
| LogP | 2.520 (est) |
| 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
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | EK3540200 | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29143900 | |||||||||
| Toxicity | LD orl-rat: >500 mg/kg NCNSA6 5,28,53 | |||||||||
| NFPA 704 |
|
Benzoylacetone price More Price(14)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | B11907 | 1-Phenyl-1,3-butanedione 99% | 93-91-4 | 10G | ₹3204.2 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | B11907 | 1-Phenyl-1,3-butanedione 99% | 93-91-4 | 50G | ₹12156.48 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | B11907 | 1-Phenyl-1,3-butanedione 99% | 93-91-4 | 250G | ₹15750.38 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 12830 | 1-Phenyl-1,3-butanedione purum, ≥98.0% (GC) | 93-91-4 | 50G | ₹40626.23 | 2022-06-14 | Buy |
| ALFA India | ALF-A14537-30 | Benzoylacetone, 98+% | 93-91-4 | 250g | ₹15018 | 2022-05-26 | Buy |
Benzoylacetone Chemical Properties,Uses,Production
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.
Uses
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.
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.]
Benzoylacetone Preparation Products And Raw materials
Raw materials
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