CAS 42598-96-9: Heptyl 3-oxobutanoate

Description: Heptyl 3-oxobutanoate, with the CAS number 42598-96-9, is an organic compound characterized by its ester functional group. It is derived from the reaction of heptanol and 3-oxobutanoic acid, resulting in a structure that features a heptyl chain attached to a 3-oxobutanoate moiety. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, which is common among esters. Heptyl 3-oxobutanoate is soluble in organic solvents and has limited solubility in water due to its hydrophobic heptyl chain. It is often used in the synthesis of various chemical intermediates and may have applications in flavoring and fragrance industries due to its pleasant aroma. Additionally, it may exhibit biological activity, making it of interest in pharmaceutical research. As with many organic compounds, handling should be done with care, following appropriate safety protocols to avoid exposure or environmental contamination.

Formula: C₁₁H₂₀O₃

InChI: InChI=1S/C11H20O3/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h3-9H2,1-2H3

InChI key: InChIKey=YAVJSVDUZGIQPQ-UHFFFAOYSA-N

SMILES: O=C(OCCCCCCC)CC(=O)C

Synonyms:

• Butanoic acid, 3-oxo-, heptyl ester
• n-Heptyl acetylacetate
• NSC 33607
• Heptyl 3-oxobutanoate
• Heptyl acetoacetate

Heptyl Acetoacetate

CAS: 42598-96-9

• Formula: C₁₁H₂₀O₃
• Purity: >95.0%(GC)
• Color and Shape: Colorless to Almost colorless clear liquid
• Molecular weight: 200.28

ACETOACETIC ACID N-HEPTYL ESTER

CAS: 42598-96-9

• Formula: C₁₁H₂₀O₃
• Color and Shape: Liquid
• Molecular weight: 200.2747

Heptyl 3-oxobutanoate

CAS: 42598-96-9

• Purity: 98%
• Molecular weight: 200.2779998779297

Heptyl Acetoacetate

CAS: 42598-96-9

Heptyl Acetoacetate is a hydroxylated fatty acid. The compound has anti-inflammatory properties and has been …

• Formula: C₁₁H₂₀O₃
• Purity: Min. 95%
• Molecular weight: 200.27 g/mol