CAS 4335-90-4

3-(Phenylmethylene)-2,4-pentanedione

Description:

3-(Phenylmethylene)-2,4-pentanedione, also known as benzyl acetoacetate, is an organic compound characterized by its diketone structure, featuring both a phenylmethylene group and two carbonyl (C=O) functional groups. This compound typically appears as a yellow to orange crystalline solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water due to its hydrophobic nature. The presence of the phenyl group contributes to its aromatic properties, while the diketone functionality allows for various chemical reactivity, including enolization and condensation reactions. It is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Additionally, 3-(Phenylmethylene)-2,4-pentanedione can exhibit biological activity, making it of interest in medicinal chemistry. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose health risks if ingested or inhaled. Proper laboratory practices and safety measures are recommended when working with this substance.

Formula: C₁₂H₁₂O₂

InChI: InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3

InChI key: InChIKey=NYRGMNMVISROGJ-UHFFFAOYSA-N

SMILES: C(=CC1=CC=CC=C1)(C(C)=O)C(C)=O

Synonyms:

• (2,2-Diacetylvinyl)benzene
• 1,1-Diacetyl-2-phenylethylene
• 2,4-Pentanedione, 3-(phenylmethylene)-
• 2,4-Pentanedione, 3-benzylidene-
• 3-(Phenylmethylene)-2,4-pentanedione
• 3-Acetyl-4-phenyl-3-buten-2-one~(2-Benzylidene)acetylacetone
• 3-Benzylideneacetylacetone
• 3-Benzylidenepentane-2,4-Dione
• Benzalacetylacetone
• Benzylidene acetylacetone
• NSC 35140

3-Benzylidene-2,4-pentanedione, 97%

CAS: 4335-90-4

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 Sci

Formula: C₁₂H₁₂O₂

Purity: 97%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 188.23

Ref: 02-L00623

3-Benzylidene-2,4-pentanedione

CAS: 4335-90-4

Formula: C₁₂H₁₂O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 188.2225

Ref: IN-DA003IYP

3-Benzylidene-2,4-pentanedione

CAS: 4335-90-4

3-Benzylidene-2,4-pentanedione

Formula: C₁₂H₁₂O₂

Purity: 97%

Color and Shape: viscous liquid

Molecular weight: 188.22g/mol

Ref: 54-OR451308

3-Benzylidenepentane-2,4-dione

CAS: 4335-90-4

Purity: 98%

Molecular weight: 188.2259979

Ref: 10-F618679