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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Benzoylacetone Suppliers

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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

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93-91-4

C6H5COCH2COCH3

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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

Thiophenes