Methyl 5-hexynoate(CAS: 77758-51-1)

CAS Number
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Basic Information
Molecular Formula
C7H10O2
Molecular Weight
116.16 g/mol
Physical Properties
Boiling Point
60 °C
Chemical Identifiers
SMILES
COC(=O)CCCC#C
InChIKey
LZULAZTXJLWELL-UHFFFAOYSA-N
Database References
MDL Number
MFCD00671366
FAQ
Methyl 5-hexynoate is a liquid with a molecular weight of approximately 114.13 g/mol. It has a boiling point of 112-114°C and a melting point of -23°C. The compound is slightly soluble in water and miscible with most organic solvents. It is mildly reactive and should be stored away from strong acids and bases.
Methyl 5-hexynoate can be synthesized via the Wittig reaction using hex-5-en-2-one and methyl iodide in the presence of a phosphonium salt as a catalyst. The reaction is typically carried out in an anhydrous organic solvent at room temperature, yielding a high selectivity and good yield.
Methyl 5-hexynoate is used in the fragrance and perfume industry as a flavor and aroma compound. It is also utilized in the synthesis of other chemical intermediates and as a reagent in some pharmaceutical processes.
When handling Methyl 5-hexynoate, appropriate personal protective equipment (PPE) such as gloves and safety goggles should be worn. The substance should be stored in a cool, dry place, away from strong acids and bases. In case of a spill, it should be cleaned up immediately using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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