CAS 121545-75-3

6-Heptenoic acid, 2,2-dimethyl-, methyl ester

Description:

6-Heptenoic acid, 2,2-dimethyl-, methyl ester, with the CAS number 121545-75-3, is an organic compound characterized by its ester functional group and a double bond in its carbon chain. This compound features a heptenoic acid backbone, which consists of seven carbon atoms, and a methyl ester group that contributes to its reactivity and solubility properties. The presence of the double bond indicates that it is an unsaturated fatty acid derivative, which can influence its physical properties, such as boiling point and melting point, as well as its reactivity in various chemical reactions, including polymerization and oxidation. The branched structure provided by the 2,2-dimethyl substitution can affect its steric hindrance and overall molecular stability. This compound may be utilized in various applications, including as an intermediate in organic synthesis, in the production of surfactants, or in the formulation of specialty chemicals. Its specific characteristics, such as solubility in organic solvents and potential uses in industrial applications, would depend on its molecular structure and the presence of functional groups.

Formula: C₁₀H₁₈O₂

InChI: InChI=1S/C10H18O2/c1-5-6-7-8-10(2,3)9(11)12-4/h5H,1,6-8H2,2-4H3

InChI key: InChIKey=ZHDWPGCOZXEOGG-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(CCCC=C)(C)C

Synonyms:

• Methyl 2,2-dimethyl-6-heptenoate
• 6-Heptenoic acid, 2,2-dimethyl-, methyl ester