Benzoylacetone

Name: Benzoylacetone
Brand: ChemScene
Availability: InStock
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CAS No. 93-91-4
Cat. No. CS-W014323
Purity≥97%
MDL No.MFCD00008786

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 93-91-4

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Description

Benzoylacetone features a conjugated enone system that enables efficient participation in Claisen condensations and Michael additions. This diketone integrates readily into heterocyclic syntheses, offering high reactivity under mild conditions. Its stability under standard bench protocols facilitates handling in multi-step transformations.

Application

Benzoylacetone serves as a versatile 1,3-dicarbonyl building block in synthetic organic chemistry, enabling efficient construction of heterocycles such as pyrazoles, isoxazoles, and substituted cyclohexenones. Its well-defined enolization behavior facilitates aldol-type condensations and metal-catalyzed coupling reactions. The molecule exhibits bench stability, ease of purification, and tolerance for diverse functional groups, making it a practical reagent in medicinal chemistry lead optimization and natural product synthesis workflows.

General Information

CAS No. 93-91-4
Cat. No. CS-W014323
Purity ≥97%
MDL No. MFCD00008786
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₂
Molecular Weight None
Synonym(s) None
SMILES CC(CC(C1=CC=CC=C1)=O)=O

Computational Chemistry Data

TPSA 34.14
LogP 1.8484
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Bioactive Molecules Dye and Bio-assay Reagents

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Catalysts and Ligands Ligands Other Oxygen Ligands Diketone Series Ligands

Catalysis Diketone Ligands

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Benzoylacetone

CAS No. 93-91-4

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