CAS 7493-75-6

2-Propen-1-yl (2E,4E)-2,4-hexadienoate

Description:

2-Propen-1-yl (2E,4E)-2,4-hexadienoate, commonly known as methyl sorbate, is an organic compound characterized by its unsaturated ester structure. It features a propene group attached to a hexadienoate moiety, which includes two double bonds in the E configuration. This compound is typically a colorless to pale yellow liquid with a fruity odor, making it relevant in flavoring and fragrance applications. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of multiple double bonds contributes to its reactivity, allowing it to participate in various chemical reactions, including polymerization and addition reactions. Additionally, its structure makes it a potential candidate for use in the synthesis of more complex organic molecules. Safety considerations should be taken into account, as it may pose risks if inhaled or ingested, and appropriate handling procedures should be followed in laboratory settings. Overall, 2-Propen-1-yl (2E,4E)-2,4-hexadienoate is a versatile compound with applications in both industrial and research contexts.

Formula: C₉H₁₂O₂

InChI: InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+

InChI key: InChIKey=CVNZYQJBZIJLCL-TWTPFVCWSA-N

SMILES: C(\C(OCC=C)=O)=C/C=C/C

Synonyms:

• 2,4-Hexadienoic acid, 2-propen-1-yl ester, (2E,4E)-
• 2,4-Hexadienoic acid, 2-propenyl ester, (2E,4E)-
• Sorbic acid, allyl ester
• 2-Propen-1-yl (2E,4E)-2,4-hexadienoate
• 2,4-Hexadienoic acid, 2-propenyl ester, (E,E)-