Di(tridecan-7-yl) 10-oxononadecanedioate
[CAS# 2097939-26-7]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: Di(tridecan-7-yl) 10-oxononadecanedioate
• Molecular Formula: C₄₅H₈₆O₅
• Molecular Weight: 707.16
• CAS Registry Number: 2097939-26-7
• SMILES: CCCCCCC(CCCCCC)OC(=O)CCCCCCCCC(=O)CCCCCCCCC(=O)OC(CCCCCC)CCCCCC

Properties

• Density: 0.9±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.464, Calc.^*
• Boiling Point: 719.8±45.0 ºC (760 mmHg), Calc.^*
• Flash Point: 278.1±28.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Discovory and Applicatios

Di(tridecan-7-yl) 10-oxononadecanedioate is a chemical compound that has garnered interest in the fields of materials science and industrial chemistry due to its unique structural properties and potential applications. This compound is characterized by its ester functional groups and long alkyl chains, which contribute to its versatility in various industrial applications.

The discovery of Di(tridecan-7-yl) 10-oxononadecanedioate is closely linked to the exploration of long-chain ester compounds, which have been extensively studied for their applications as plasticizers, lubricants, and surfactants. The structure of this compound features a nonadecanedioate backbone with oxo functionality at the 10-position, flanked by tridecan-7-yl groups. This combination of features results in a molecule that exhibits both hydrophobic and lipophilic properties, making it suitable for a range of applications in which such characteristics are desirable.

One of the primary applications of Di(tridecan-7-yl) 10-oxononadecanedioate is in the formulation of high-performance lubricants. The long alkyl chains provide the compound with excellent lubricity and thermal stability, which are critical for reducing friction and wear in mechanical systems. Additionally, the ester groups contribute to the compound’s ability to form a stable, adherent film on metal surfaces, further enhancing its effectiveness as a lubricant. This makes it particularly valuable in industries where machinery operates under extreme conditions, such as automotive or aerospace engineering.

In materials science, Di(tridecan-7-yl) 10-oxononadecanedioate is explored as a plasticizer for polymers. Plasticizers are additives that increase the flexibility, durability, and processability of polymers by reducing the intermolecular forces between polymer chains. The long alkyl chains of this compound effectively reduce the glass transition temperature of polymers, making them more flexible at lower temperatures. This property is particularly useful in the production of flexible PVC, rubber, and other polymeric materials used in consumer goods, construction, and medical devices.

The synthesis of Di(tridecan-7-yl) 10-oxononadecanedioate involves the esterification of 10-oxononadecanedioic acid with tridecan-7-ol. The reaction is typically carried out under controlled conditions to ensure the selective formation of the ester bonds without unwanted side reactions. The choice of tridecan-7-ol as the alcohol component is deliberate, as the branched alkyl chain helps improve the compound’s solubility in non-polar solvents and its overall stability under various conditions.

Beyond its industrial applications, Di(tridecan-7-yl) 10-oxononadecanedioate also holds potential in the field of cosmetics and personal care products. The compound's emollient properties, which are derived from its long alkyl chains, make it an effective moisturizing agent in lotions, creams, and other skin-care formulations. Its ability to form a protective barrier on the skin helps to prevent moisture loss, thereby enhancing the skin’s hydration and smoothness. Moreover, its non-irritating nature makes it suitable for use in products designed for sensitive skin.

As research into long-chain ester compounds continues, the potential applications of Di(tridecan-7-yl) 10-oxononadecanedioate are likely to expand. Its unique combination of structural features, including the oxo functionality and branched alkyl chains, ensures that it remains a compound of interest in the development of advanced materials and formulations across a variety of industries.