CAS 5396-89-4

Benzyl acetoacetate

Description:

Benzyl acetoacetate, with the CAS number 5396-89-4, is an organic compound that belongs to the class of acetoacetates. It is characterized by its ester functional group, which is derived from the reaction of benzyl alcohol and acetoacetic acid. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic benzyl group. Benzyl acetoacetate is known for its use in organic synthesis, particularly in the preparation of various pharmaceuticals and fine chemicals. It can undergo various chemical reactions, including condensation and acylation, making it a versatile intermediate in synthetic organic chemistry. Additionally, it exhibits some biological activity, which has led to its exploration in medicinal chemistry. Proper handling and storage are essential, as with many organic compounds, to ensure safety and stability.

Formula: C₁₁H₁₂O₃

InChI: InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI key: InChIKey=WOFAGNLBCJWEOE-UHFFFAOYSA-N

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

Synonyms:

• 3-Oxobutanoic acid benzyl ester
• 3-Oxobutanoic acid phenylmethyl ester
• 3-Oxobutyric acid benzyl ester
• Acetoacetic Acid Benzyl Ester
• Benzyl 3-Oxobutanoate
• Benzyl 3-oxobutyrate
• Benzyl acetylacetate
• Benzyl-2-oxobutanoate
• Butanoic acid, 3-oxo-, phenylmethyl ester
• NSC 4391
• Phenylmethyl 3-oxobutanoate

Benzyl Acetoacetate

CAS: 5396-89-4

Formula: C₁₁H₁₂O₃

Purity: >95.0%(GC)(T)

Color and Shape: Colorless to Brown clear liquid

Molecular weight: 192.21

Ref: 3B-A1080

Benzyl acetoacetate, 97%

CAS: 5396-89-4

Benzyl acetoacetate is used as a Pharmaceutical and fine chemical intermediate. 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

Formula: C₁₁H₁₂O₃

Purity: 97%

Color and Shape: Clear colorless to yellow to orange, Liquid

Molecular weight: 192.21

Ref: 02-A14915

Benzyl 3-oxobutanoate

CAS: 5396-89-4

Formula: C₁₁H₁₂O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 192.2112

Ref: IN-DA003O3W

Benzyl Acetoacetate

CAS: 5396-89-4

Benzyl Acetoacetate

Purity: 97%

Molecular weight: 192.21g/mol

Ref: 54-OR1030614

Benzyl acetoacetate

CAS: 5396-89-4

Benzyl acetoacetate

Purity: 95%

Molecular weight: 192.21g/mol

Ref: 54-OR79315

Benzyl 3-oxobutanoate

CAS: 5396-89-4

Formula: C₁₁H₁₂O₃

Purity: 95%

Color and Shape: Clear

Molecular weight: 192.214

Ref: 10-F227958

Benzyl Acetoacetate

Controlled Product

CAS: 5396-89-4

Formula: C₁₁H₁₂O₃

Color and Shape: Neat

Molecular weight: 192.21

Ref: TR-B210020