CAS 81144-79-8

Methyl 3,4-dimethyl-5-pentyl-2-furannonanoate

Description:

Methyl 3,4-dimethyl-5-pentyl-2-furannonanoate, identified by its CAS number 81144-79-8, is an organic compound that belongs to the class of furanones, which are characterized by a five-membered aromatic ring containing oxygen. This compound features a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. Its structure includes multiple alkyl substituents, which can influence its physical properties, such as boiling point and solubility. Generally, furanones are known for their pleasant aromas and are often used in flavoring and fragrance applications. The presence of the pentyl group suggests that this compound may exhibit hydrophobic characteristics, potentially affecting its interactions in biological systems. Additionally, the specific arrangement of methyl groups can impact its stability and reactivity, making it of interest in synthetic organic chemistry. While detailed toxicity and environmental impact data may not be readily available, compounds of this nature should be handled with care, following appropriate safety protocols.

Formula: C₂₁H₃₆O₃

InChI: InChI=1S/C21H36O3/c1-5-6-11-14-19-17(2)18(3)20(24-19)15-12-9-7-8-10-13-16-21(22)23-4/h5-16H2,1-4H3

InChI key: InChIKey=YFVSSJJNHGYGOA-UHFFFAOYSA-N

SMILES: C(CCCCCCCC(OC)=O)C=1OC(CCCCC)=C(C)C1C

Synonyms:

• Methyl 3,4-dimethyl-5-pentyl-2-furannonanoate
• 2-Furannonanoic acid, 3,4-dimethyl-5-pentyl-, methyl ester
• 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid Methyl Ester