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

Methyl (2E)-2-benzylidene-3-oxobutanoate is an organic chemical compound with the molecular formula C12H12O3 and CAS number 15768-07-7. This substance belongs to the class of benzylidene derivatives and features both ester and ketone functional groups in its structure. With a molecular weight of 204.22 g/mol, it is classified as a skin and eye irritant with moderate environmental impact on aquatic organisms.

Methyl (2E)-2-benzylidene-3-oxobutanoate is an organic ester compound with a molecular weight of 204.22 g/mol and molecular formula C12H12O3. The substance typically appears as a solid or liquid at room temperature, depending on purity and conditions. Its benzylidene structure suggests aromatic character with potential for conjugation. Specific physical properties like melting point, boiling point, and solubility data should be verified through technical specifications.

Methyl (2E)-2-benzylidene-3-oxobutanoate is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its benzylidene structure makes it valuable for the preparation of various heterocyclic compounds and as a building block in medicinal chemistry. The compound may also serve in fine chemical manufacturing and academic research applications where specific structural features are required for further chemical transformations.

Methyl (2E)-2-benzylidene-3-oxobutanoate requires careful handling due to its skin and eye irritant properties (Skin Irrit. 2; Eye Irrit. 2). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid direct skin and eye contact, and ensure proper hand washing after handling. Emergency eyewash stations should be readily accessible.

Methyl (2E)-2-benzylidene-3-oxobutanoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Given its organic ester nature, avoid storage near strong oxidizing agents, acids, and bases. Containers should be properly labeled with hazard information and kept in areas with appropriate spill containment measures. Regular inspection of container integrity is recommended.

Skin contact with methyl (2E)-2-benzylidene-3-oxobutanoate requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention. Always seek professional medical advice if irritation persists.

Methyl (2E)-2-benzylidene-3-oxobutanoate must be disposed of as hazardous chemical waste according to local and European waste regulations. The substance cannot be disposed of in regular drainage systems due to its aquatic toxicity classification (Aquatic Chronic 2). Contact licensed waste disposal companies for proper collection and treatment. Small quantities may be suitable for incineration at authorized facilities with appropriate emission controls.

Methyl (2E)-2-benzylidene-3-oxobutanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires specific packaging standards and labeling according to dangerous goods regulations. Packages must be properly marked with the correct shipping name, UN number, and hazard labels. Transportation should comply with ADR/RID regulations for road and rail transport within Europe.

Methyl (2E)-2-benzylidene-3-oxobutanoate is subject to European REACH and CLP regulations due to its hazard classification. The substance is not currently identified as a Substance of Very High Concern (SVHC). Suppliers must provide Safety Data Sheets (SDS) and ensure proper classification and labeling according to CLP regulation. Users must comply with workplace exposure limits and environmental protection measures as specified in relevant legislation.

Methyl (2E)-2-benzylidene-3-oxobutanoate is available through specialized chemical distributors across Europe. OYSI, as a European distributor of technical chemicals, can provide this substance with proper documentation including Safety Data Sheets and certificates of analysis. When sourcing this material, ensure the supplier complies with REACH registration requirements and provides appropriate hazard information and handling guidelines for safe use.