CAS 10250-45-0

4-Heptanol, 2,6-dimethyl-, 4-acetate

Description:

4-Heptanol, 2,6-dimethyl-, 4-acetate, with the CAS number 10250-45-0, is an organic compound that belongs to the class of esters. It is characterized by its structure, which includes a heptanol backbone with two methyl groups at the 2 and 6 positions and an acetate functional group at the 4 position. This compound is typically a colorless to pale yellow liquid with a pleasant, fruity odor, making it potentially useful in flavoring and fragrance applications. Its molecular structure contributes to its solubility in organic solvents while being less soluble in water. The compound may exhibit moderate volatility and can participate in various chemical reactions typical of esters, such as hydrolysis and transesterification. Additionally, it may have applications in the synthesis of other chemical compounds or as an intermediate in organic synthesis. Safety data should be consulted for handling and usage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₁H₂₂O₂

InChI: InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3

InChI key: InChIKey=XLJDNKNPKUBQMX-UHFFFAOYSA-N

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

Synonyms:

• 2,6-Dimethyl-4-heptanol acetate
• 2,6-Dimethyl-4-heptyl acetate
• 4-Heptanol, 2,6-dimethyl-, 4-acetate
• 3-Methyl-1-(2-methylpropyl)butyl acetate
• 4-Heptanol, 2,6-dimethyl-, acetate