1-Octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate
[CAS# 2089251-47-6]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: 1-Octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate
• Synonyms: SM-102
• Molecular Formula: C₄₄H₈₇NO₅
• Molecular Weight: 710.17
• CAS Registry Number: 2089251-47-6
• SMILES: O=C(OCCCCCCCCCCC)CCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC

Properties

• Solubility: Insoluble (8.5E^-7 g/L g/L) (25 °C), Calc.^*
• pKa: 14.67±0.10 (Most acidic 25 °C), Calc.^*
• Density: 0.925±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 725.8±50.0 °C (760 Torr), Calc.^*
• Flash point: 392.8±30.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Discovery and Applications

1-Octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate is a complex chemical compound known for its unique structure and diverse applications. This substance, characterized by its long hydrocarbon chains and functional groups, has garnered interest in various fields including materials science and pharmaceuticals.

The discovery of 1-octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate involved the synthesis of compounds with specific functional groups designed for particular applications. The compound was developed to combine the properties of long-chain hydrocarbons with functional groups that could provide specific interactions or modifications. Its synthesis typically involves multi-step organic reactions, including esterification and amidation processes, to incorporate the desired functional groups into a long-chain structure.

In materials science, 1-octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate is used as an additive in various polymer formulations. Its long alkyl chains contribute to the compound’s ability to modify the physical properties of polymers, such as flexibility, solubility, and thermal stability. This makes it useful in the development of advanced materials with tailored properties for specific industrial applications.

In the pharmaceutical industry, the compound is explored for its potential use as a drug delivery system. The structure of 1-octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate allows for the incorporation of therapeutic agents within its framework, facilitating controlled release and targeted delivery. The presence of multiple functional groups can enable interaction with biological systems, enhancing the efficacy of drugs and reducing side effects.

The compound’s applications also extend to the development of surfactants and emulsifiers. The presence of both hydrophobic and hydrophilic groups in its structure allows it to act effectively at the interface of oil and water, making it suitable for use in formulations where stabilization of emulsions or dispersions is required.

Overall, 1-octylnonyl 8-[(2-hydroxyethyl)[6-oxo-6-(undecyloxy)hexyl]amino]octanoate represents a versatile chemical compound with applications across various fields. Its unique structure, combining long hydrocarbon chains with functional groups, provides valuable properties for enhancing material performance and developing innovative solutions in pharmaceuticals and materials science.

References

2021. Lipid nanoparticles for mRNA delivery. Nature Reviews. Materials, 6(8). DOI: 10.1038/s41578-021-00358-0

2024. Finely tuned ionizable lipid nanoparticles for CRISPR/Cas9 ribonucleoprotein delivery and gene editing. Journal of Nanobiotechnology, 22(1). DOI: 10.1186/s12951-024-02427-2

2024. Role of size, surface charge, and PEGylated lipids of lipid nanoparticles (LNPs) on intramuscular delivery of mRNA. Journal of Nanobiotechnology, 22(1). DOI: 10.1186/s12951-024-02812-x