Benzoylacetone, 98+%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11411908	Thermo Scientific Alfa Aesar A14537.18	50 g
11421908	Thermo Scientific Alfa Aesar A14537.30	250 g
11401908	Thermo Scientific Alfa Aesar A14537.0B	1000 g

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.

Chemical Identifiers

• CAS: 93-91-4
• Molecular Weight (g/mol): 162.188
• InChI Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N
• PubChem CID: 7166
• SMILES: CC(=O)CC(=O)C1=CC=CC=C1

• Molecular Formula: C10H10O2
• MDL Number: MFCD00008786
• Synonym: benzoylacetone, 1-phenyl-1,3-butanedione, 1-benzoylacetone, 1,3-butanedione, 1-phenyl, 1-benzoyl-2-propanone, acetoacetophenone, 2-propanone, benzoyl, acetylbenzoylmethane, 2-acetylacetophenone, benzoyl-aceton
• IUPAC Name: 1-phenylbutane-1,3-dione

Specifications

• CAS: 93-91-4
• Density: 1.09
• Molecular Formula: C10H10O2
• Beilstein: 742413
• Solubility Information: Insoluble in water.
• SMILES: CC(=O)CC(=O)C1=CC=CC=C1
• Molecular Weight (g/mol): 162.188
• Formula Weight: 162.19
• Chemical Name or Material: Benzoylacetone

• Melting Point: 55°C to 60°C
• Boiling Point: 260°C to 262°C
• MDL Number: MFCD00008786
• Synonym: benzoylacetone, 1-phenyl-1,3-butanedione, 1-benzoylacetone, 1,3-butanedione, 1-phenyl, 1-benzoyl-2-propanone, acetoacetophenone, 2-propanone, benzoyl, acetylbenzoylmethane, 2-acetylacetophenone, benzoyl-aceton
• InChI Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N
• IUPAC Name: 1-phenylbutane-1,3-dione
• PubChem CID: 7166
• Percent Purity: ≥98%

Safety and Handling

missing translation for 'einecsNumber' : 202-286-4

missing translation for 'rtecsNumber' : EK3540200

missing translation for 'tsca' : Yes

Recommended Storage : Ambient temperatures

RUO – Research Use Only