CAS 13058-12-3

Ethyl 3,7-dimethyl-2,6-octadienoate

Description:

Ethyl 3,7-dimethyl-2,6-octadienoate, with the CAS number 13058-12-3, is an organic compound belonging to the class of esters. It is characterized by its structure, which features a long carbon chain with two double bonds (diene) and an ethyl ester functional group. This compound is typically a colorless to pale yellow liquid with a fruity or floral aroma, making it of interest in the flavor and fragrance industries. Its molecular structure contributes to its reactivity, particularly in addition reactions typical of compounds containing conjugated double bonds. Ethyl 3,7-dimethyl-2,6-octadienoate is soluble in organic solvents and may exhibit low solubility in water due to its hydrophobic carbon chain. Additionally, it may have applications in organic synthesis and as an intermediate in the production of various chemical compounds. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₁₂H₂₀O₂

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

InChI key: InChIKey=ZPKNTCZTABQJPS-UHFFFAOYSA-N

SMILES: C(=C(CCC=C(C)C)C)C(OCC)=O

Synonyms:

• 3,7-Dimethyl-2,6-octadienoic acid ethyl ester
• 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
• Geranic acid, ethyl ester
• Ethyl 3,7-dimethyl-2,6-octadienoate