76939-66-7

Basic information

• Product Name: 2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
• Synonyms: 2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate;2,2'-[Oxybis(methylene)]bis[2-[(heptanoyloxy)methyl]-1,3-propanediol diheptanoate];Dipentaerythritol hexaenanthate;Dipentaerythritol hexaheptanoate
• CAS NO: 76939-66-7
• Molecular Formula: C₅₂H₉₄O₁₃
• Molecular Weight: 927.29496
• EINECS: 278-580-1
• Mol File: 76939-66-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 833°C at 760 mmHg
• Flash Point: 310.9°C
• Appearance: /
• Density: 1.014g/cm³
• Vapor Pressure: 6.33E-28mmHg at 25°C
• Refractive Index: 1.47
• CAS DataBase Reference: 2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate(76939-66-7)
• EPA Substance Registry System: 2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate(76939-66-7)

Safety Data

• Hazardous Substances Data: 76939-66-7(Hazardous Substances Data)

Usage

Molecular composition

Carbon, hydrogen, and oxygen atoms

Structure

Complex ester with two heptanoate groups attached to a propane-1,3-diyl backbone

Functional groups

Ether and carbonyl groups

Molecular weight

High due to complex structure

Industrial potential

Possible applications as a plasticizer, lubricant, or surfactant

Reasoning for potential applications

Long hydrocarbon chains and multiple ester linkages

Further research

Necessary to fully understand its properties and potential uses

InChI:InChI=1/C52H94O13/c1-7-13-19-25-31-45(53)60-39-51(40-61-46(54)32-26-20-14-8-2,41-62-47(55)33-27-21-15-9-3)37-59-38-52(42-63-48(56)34-28-22-16-10-4,43-64-49(57)35-29-23-17-11-5)44-65-50(58)36-30-24-18-12-6/h7-44H2,1-6H3

Upstream product

• 111-14-8 oenanthic acid 
• 126-58-9 Dipentaerythritol 

Relevant articles and documents

Microwave-promoted synthesis of polyol esters for lubrication oil using a composite catalyst in a solvent-free procedure

A rapid, highly efficient and green synthetic approach to polyol esters for lubrication oils is proposed. Using sulfuric acid and p-toluene sulfonic acid as a composite catalyst and C5-C9 straight-chain monocarboxylic acids, with pentaerythritol (PE) and dipentaerythritol (di-PE) as starting materials, a series of lubrication oil polyol esters were synthesized in the absence of solvent under microwave irradiation. Compared with the conventional synthetic method, our proposed microwave method exhibits advantages, including higher yields, shorter reaction times and lower reaction temperatures. The viscosity coefficients of the products at 40 °C and their refractive indices at 25 °C were investigated. In addition, the thermal behavior of the starting materials under microwave irradiation was also investigated. The results reveal that the microwave absorbance of n-pentanoic acid is stronger than that of n-hexanoic acid and that of n-heptanoic acid is stronger than that of n-octanoic acid. The microwave absorbance of di-PE is also stronger than that of PE.