Methyl (2E)-2-benzylidene-3-oxobutanoate

Methyl (2E)-2-benzylidene-3-oxobutanoate is an organic compound with the molecular formula C12H12O3 and CAS number 15768-07-7. This ester derivative features a benzylidene group attached to a 3-oxobutanoate backbone, making it a valuable intermediate in organic synthesis. With a molecular weight of 204.22 g/mol, it belongs to the class of α,β-unsaturated carbonyl compounds and is commonly used in chemical manufacturing processes.

Methyl (2E)-2-benzylidene-3-oxobutanoate is typically a crystalline solid at room temperature with a characteristic aromatic odor. The compound exhibits moderate solubility in organic solvents such as ethanol, acetone, and dichloromethane, while being poorly soluble in water due to its hydrophobic aromatic structure. Its molecular weight of 204.22 g/mol and conjugated system contribute to its stability under normal storage conditions.

Methyl (2E)-2-benzylidene-3-oxobutanoate serves as a key intermediate in pharmaceutical and fine chemical synthesis. It is primarily used in the production of various organic compounds through Michael addition reactions, aldol condensations, and other carbon-carbon bond forming reactions. The compound finds applications in the manufacture of pharmaceuticals, agrochemicals, and specialty chemicals where its reactive α,β-unsaturated carbonyl system is particularly valuable for further chemical transformations.

Methyl (2E)-2-benzylidene-3-oxobutanoate should be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Given its classification as Skin Irritant 2 and Eye Irritant 2, direct contact with skin and eyes must be avoided. Always wash hands thoroughly after handling and follow good laboratory practices.

Methyl (2E)-2-benzylidene-3-oxobutanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. The storage area should be protected from moisture and incompatible materials such as strong acids, bases, and oxidizing agents. Maintain storage temperatures below 25°C and ensure proper labeling according to GHS requirements with Warning signal word and appropriate pictograms GHS07 and GHS09.

In case of skin contact with methyl (2E)-2-benzylidene-3-oxobutanoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If irritation persists after washing, seek medical attention promptly. In case of inhalation, move the person to fresh air and monitor breathing. Always consult a physician if symptoms develop or persist.

Methyl (2E)-2-benzylidene-3-oxobutanoate must be disposed of as hazardous chemical waste in accordance with local and national environmental regulations. The compound should never be discharged into sewers, waterways, or soil due to its Aquatic Chronic 2 classification. Contact licensed waste disposal companies for proper treatment and disposal. Small laboratory quantities may be suitable for incineration in specialized facilities equipped with appropriate emission controls and scrubbing systems.

Methyl (2E)-2-benzylidene-3-oxobutanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. The substance should be transported in UN-approved packaging with proper hazard labels and transport documents. Drivers must hold valid ADR certification, and vehicles should carry appropriate emergency equipment as specified in ADR requirements for Class 9 materials.

Methyl (2E)-2-benzylidene-3-oxobutanoate is subject to REACH regulation for registration, evaluation, and authorization of chemicals in the European Union. The substance must be classified and labeled according to CLP regulation with Warning signal word and pictograms GHS07 and GHS09. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations and environmental protection laws in their respective jurisdictions when handling this chemical.

Methyl (2E)-2-benzylidene-3-oxobutanoate is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound with full regulatory compliance including Safety Data Sheets, certificates of analysis, and proper packaging according to ADR requirements. As an established chemical distributor, OYSI ensures reliable supply chains and technical support for customers across Europe requiring this specialized organic intermediate for their manufacturing processes.