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: O=C(OCC=1C=CC=CC1)CC(=O)C

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

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

Benzyl acetoacetate, 97%

CAS: 5396-89-4

Benzyl acetoacetate is used as a Pharmaceutical and fine chemical intermediate. This Thermo Scientific Chemicals …

• Formula: C₁₁H₁₂O₃
• Purity: 97%
• Color and Shape: Clear colorless to yellow to orange, Liquid
• Molecular weight: 192.21

Benzyl 3-oxobutanoate

CAS: 5396-89-4

• Formula: C₁₁H₁₂O₃
• Purity: 95%
• Color and Shape: Liquid
• Molecular weight: 192.2112

Benzyl acetoacetate

CAS: 5396-89-4

• Purity: 95%
• Molecular weight: 192.21g/mol

Benzyl Acetoacetate

CAS: 5396-89-4

• Purity: 97%+
• Molecular weight: 192.21g/mol

Benzyl 3-oxobutanoate

CAS: 5396-89-4

• Purity: 95.0%
• Color and Shape: Liquid, Clear
• Molecular weight: 192.21400451660156

Benzyl Acetoacetate

CAS: 5396-89-4

• Formula: C₁₁H₁₂O₃
• Color and Shape: Neat
• Molecular weight: 192.21

Benzyl Acetoacetate

CAS: 5396-89-4

Benzyl acetoacetate is a benzyl derivative that can be synthesized from acetoacetic acid and hydrogen …

• Formula: C₁₁H₁₂O₃
• Purity: Min. 95%
• Molecular weight: 192.21 g/mol