CAS 898776-39-1
:Ethyl 7,7-dimethyl-6-oxooctanoate
Description:
Ethyl 7,7-dimethyl-6-oxooctanoate, with the CAS number 898776-39-1, is an organic compound characterized by its ester functional group, which is typical of many compounds in the ester category. This substance features a long carbon chain, specifically an octanoate backbone, which contributes to its hydrophobic nature. The presence of the 6-oxo group indicates that it contains a ketone functional group, which can influence its reactivity and physical properties. The two methyl groups at the 7-position enhance its steric bulk, potentially affecting its boiling point and solubility. Ethyl esters like this compound are often used in flavoring, fragrance, and as intermediates in organic synthesis. Its molecular structure suggests it may exhibit moderate volatility and may be soluble in organic solvents while being less soluble in water. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken. Overall, this compound exemplifies the complexity and diversity of organic chemistry.
Formula:C12H22O3
InChI:InChI=1S/C12H22O3/c1-5-15-11(14)9-7-6-8-10(13)12(2,3)4/h5-9H2,1-4H3
InChI key:InChIKey=QDVSKMBKORYSQW-UHFFFAOYSA-N
SMILES:C(CCCC(OCC)=O)C(C(C)(C)C)=O
Synonyms:- Octanoic acid, 7,7-dimethyl-6-oxo-, ethyl ester
- Ethyl 7,7-dimethyl-6-oxooctanoate
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