Benzoylacetone

Benzoylacetone Basic information
Product Name:Benzoylacetone
Synonyms:1-phenyl-3-butanedione;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
CAS:93-91-4
MF:C10H10O2
MW:162.19
EINECS:202-286-4
Product Categories:Environmentally-friendly Oxidation;Ligands (Environmentally-friendly Oxidation);Synthetic Organic Chemistry;Building Blocks;C10;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;Thiophenes
Mol File:93-91-4.mol
Benzoylacetone Structure
Benzoylacetone Chemical Properties
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)
Fp 260-262°C
storage temp. Store below +30°C.
solubility 0.38g/l insoluble
form Crystalline Flakes or Crystalline Powder
pkapK1: 8.23 (25°C)
color Yellow
Specific Gravity1.09
Odorat 100.00 %. acetophenone balsam woody dry opoponax vanilla
Odor Typebalsamic
Water Solubility insoluble
BRN 742413
LogP2.520 (est)
CAS DataBase Reference93-91-4(CAS DataBase Reference)
NIST Chemistry Reference1,3-Butanedione, 1-phenyl-(93-91-4)
EPA Substance Registry System1,3-Butanedione, 1-phenyl- (93-91-4)
Safety Information
Safety Statements 22-24/25
WGK Germany 3
RTECS EK3540200
TSCA Yes
HS Code 29143900
ToxicityLD orl-rat: >500 mg/kg NCNSA6 5,28,53
MSDS Information
ProviderLanguage
1-Phenyl-1,3-butanedione English
SigmaAldrich English
ACROS English
ALFA English
Benzoylacetone Usage And Synthesis
Chemical PropertiesBenzoylacetone is a yellowish crystalline flakes or white crystalline solid and has balsamic odor type of medium strength. 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.
UsesBenzoylacetone 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.
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 ProfileModerately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.
Purification MethodsCrystallise benzoylacetone from Et2O or MeOH and dry it under vacuum at 40o. [Beilstein 7 IV 2151.]
1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE O-HYDROXYBENZOYLACETONE PONGAMOL 4,4-DICHLORODIBENZOYLMETHANE Phenylacetone 6-HYDROXY-1-PHENYL-1,3-HEXANEDIONE 2-DIPHENYLACETYL-1,3-INDANDIONE-1-HYDRAZONE BENZOYLACETONE, (1-PHENYL-1,3-BUTANEDIONE) TRIBENZOYLMETHANE 1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDIONE PHENYL VALERATE 2-ACETYL-1-TETRALONE 4,4,4-TRIFLUORO-1-PHENYL-1,3-BUTANEDIONE 1-[N-(4-PHENYL-1,3-THIAZOL-2-YL)HYDRAZONE] 2-{[5-(2,4-dichlorophenyl)-2-furyl]methylene}-4,4,4-trifluoro-1-phenyl-1,3-butanedione 1-Phenyl-2-nitropropene 2-BROMO-1,3-DIPHENYL-PROPANE-1,3-DIONE 1,5-DIPHENYL-1,3,5-PENTANETRIONE 1-(4-CHLOROPHENYL)-6-HYDROXYHEXANE-1,3-DIONE

Email:[email protected] [email protected]
Copyright © 2024 Mywellwork.com All rights reserved.