ChemicalBook > CAS DataBase List > Benzoylacetone

Benzoylacetone

Product Name
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;-1,3-butanedione;Benzoylpropanone;AKOS BBS-00004232
CBNumber
CB7332014
Molecular Formula
C10H10O2
Formula Weight
162.19
MOL File
93-91-4.mol
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Benzoylacetone Property

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
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
B11907
Product name
1-Phenyl-1,3-butanedione
Purity
99%
Packaging
50g
Price
$101.4
Updated
2024/03/01
Sigma-Aldrich
Product number
B11907
Product name
1-Phenyl-1,3-butanedione
Purity
99%
Packaging
10g
Price
$121
Updated
2024/03/01
Sigma-Aldrich
Product number
12830
Product name
1-Phenyl-1,3-butanedione
Purity
purum, ≥98.0% (GC)
Packaging
50g
Price
$235
Updated
2022/05/15
TCI Chemical
Product number
P0160
Product name
1-Phenyl-1,3-butanedione
Purity
>98.0%(GC)
Packaging
25g
Price
$40
Updated
2024/03/01
TCI Chemical
Product number
P0160
Product name
1-Phenyl-1,3-butanedione
Purity
>98.0%(GC)
Packaging
100g
Price
$114
Updated
2024/03/01
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Benzoylacetone Chemical Properties,Usage,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.

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.]

Benzoylacetone Preparation Products And Raw materials

Raw materials

Ethyl acetoacetate Acetophenone ETHYL ACETOACETATE SODIUM SALT Diethyl ether 2'-Iodoacetophenone Benzoyl chloride

Preparation Products

5-METHYL-3-PHENYL-4-ISOXAZOLAMINE 5-Methyl-3-phenylisoxazole 3-METHYL-5-PHENYLISOXAZOLE
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View Lastest Price from Benzoylacetone manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
Benzoylacetone 93-91-4
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-10-30
Hebei Yanxi Chemical Co., Ltd.
Product
Benzoylacetone 93-91-4
Price
US $40.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10 tons
Release date
2023-09-28
Shaanxi Dideu Medichem Co. Ltd
Product
Benzoylacetone 93-91-4
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000KG
Release date
2024-08-13

93-91-4, BenzoylacetoneRelated Search:

Phenylhydrazine Triphenylphosphine 2,3-Butanedione 1-Phenyl-1,2-propanedione Dimethylglyoxime Acetoacetamide 2-Phenylphenol Benzoyl peroxide PHENYL VALERATE 1-PHENYL-2-PROPANOL 1-Phenyl-2-nitropropene Dibenzoylmethane 1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE 2-DIPHENYLACETYL-1,3-INDANDIONE-1-HYDRAZONE PINDONE 1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDIONE 4,4,4-Trifluoro-1-phenyl-1,3-butanedione Phenylacetone

  • 1-phenyl-3-butanedione
  • 1-phenyl-butane-1,3-dione
  • 2-Propanone, benzoyl-
  • 3-Butanedione,1-phenyl-1
  • -Acetylacetophenone
  • alpha-Acetylacetophenone
  • 1-BENZOYLACETONE pure
  • 1-Methyl-3-phenyl-1,3-propanedione
  • 4-Phenyl-2,4-butanedione
  • 1-Benzoylacetone,98%
  • Benzoylacetone, extra pure
  • 1-Benzoylacetone, 98% 250GR
  • 1-Benzoylacetone, 98% 50GR
  • BENZOYLACETONE FOR SYNTHESIS 100 G
  • BENZOYLACETONE FOR SYNTHESIS 25 G
  • 1-Phenyl-1,3-butanedione 99%
  • Benzoylacetone for synthesis
  • 1-Benzoyl-2-propanone
  • (Z)-4-hydroxy-4-phenyl-3-buten-2-one
  • -1,3-butanedione
  • Benzoyl-aceton
  • Benzoylpropanone
  • OMEGA-ACETYL ACETOPHENONE
  • 1-PHENYL-1,3-BUTANEDIONE
  • 1-BENZOYLACETONE
  • AKOS BBS-00004232
  • A-ACETYLHYPNONE
  • A-ACETYLACETOPHENONE
  • A-ACETYLMETHYL PHENYL KETONE
  • ACETOACETOPHENONE
  • ACETYLBENZOYLMETHANE
  • AURORA 9175
  • BENZOYLACETONE
  • METHYL PHENACYL KETONE
  • 1-BENZOYLACETONE CRYSTALLINE
  • 1,3-Butanedione, 1-phenyl-
  • Benzoylacetone, 98+%
  • 1-Phenyl-1,3-butanedione&gt
  • Benzoylacetone, 10 mM in DMSO
  • 93-91-4
  • C6H5COCH2COCH3
  • Ligands (Environmentally-friendly Oxidation)
  • Environmentally-friendly Oxidation
  • Ketones
  • Organic Building Blocks
  • Building Blocks
  • C10
  • Carbonyl Compounds
  • KETONE
  • Environmentally-friendly Oxidation
  • Ligands (Environmentally-friendly Oxidation)
  • Synthetic Organic Chemistry
  • Building Blocks
  • C10
  • Carbonyl Compounds
  • Chemical Synthesis
  • Ketones
  • Organic Building Blocks