CAS 1845-54-1

ethyl 5-methyl-2-(1-methylethenyl)hex-4-enoate

Description:

Ethyl 5-methyl-2-(1-methylethenyl)hex-4-enoate, with the CAS number 1845-54-1, is an organic compound belonging to the class of esters. It features a hexenoate backbone, characterized by a six-carbon chain with a double bond and an ester functional group. The presence of the ethyl group indicates that it is an ester derived from ethanol. The compound also contains a branched alkyl group, specifically a 1-methylethenyl group, which contributes to its structural complexity and potential reactivity. This compound is likely to be a colorless to pale yellow liquid with a fruity odor, typical of many esters. Its chemical properties may include moderate solubility in organic solvents and limited solubility in water, reflecting its hydrophobic characteristics. Ethyl 5-methyl-2-(1-methylethenyl)hex-4-enoate may be used in various applications, including flavoring, fragrance, and as an intermediate in organic synthesis. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.

Formula: C₁₂H₂₀O₂

InChI: InChI=1/C12H20O2/c1-6-14-12(13)11(10(4)5)8-7-9(2)3/h7,11H,4,6,8H2,1-3,5H3

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

Synonyms:

• 4-Hexenoic acid, 2-isopropenyl-5-methyl-, ethyl ester
• 4-Hexenoic acid, 5-methyl-2-(1-methylethenyl)-, ethyl ester
• Ethyl 2-isopropenyl-5-methyl-4-hexenoate
• Ethyl 5-methyl-2-(1-methylethenyl)-4-hexenoate

2-Isopropenyl-5-methyl-4-hexenoic Acid Ethyl Ester

Controlled Product

CAS: 1845-54-1

Applications 2-Isopropenyl-5-methyl-4-hexenoic Acid Ethyl Ester is an intermediate in the synthesis of (±)-Lavandulyl Acetate (L200000), a component of lavender oil.
References Pepper, H, P., et al.: J. Org. Chem., 79, 2564 (2014);

Formula: C₁₂H₂₀O₂

Color and Shape: Neat

Molecular weight: 196.29

Ref: TR-I822940