Pentaerythrityl Tetraethylhexanoate is a chemical compound, tetraester of pentaerythritol and 2-ethylhexanoic acid. It is widely used in cosmetics and skin care products, such as creams, lotions and makeup products. This ingredient is valued for its emollient properties that provide softness and hydration to the skin. It is also used to improve the spreading and application of cosmetic products.

The name describes the structure of the molecule:

• Pentaerythrityl refers to pentaerythritol, a polyol organic compound. Pentaerythritol is known for its ability to act as a base for the formation of esters.
• Tetraethylhexanoate refers to tetraethylhexanoic acid, a fatty acid. In this context, it indicates that pentaerythritol has been esterified with tetraethylhexanoic acid.

Raw Materials and Their Functions

Pentaerythritol. A polyvalent alcohol used as the base for the production of pentaerythrityl tetraethylhexanoate. It provides the basic structure of the compound.

Ethylhexanoic Acid. A fatty acid used to esterify pentaerythritol, imparting emollient and stabilizing properties to the compound.

Industrial Chemical Synthesis of Pentaerythrityl Tetraethylhexanoate

• Esterification of pentaerythritol with ethylhexanoic acid. During this reaction, ester bonds are formed between the pentaerythritol and the fatty acid.
• Reaction Control. The esterification reaction is monitored to ensure it occurs correctly and the final product has the desired properties.
• Purification. After the reaction, pentaerythrityl tetraethylhexanoate is purified to remove impurities and by-products.
• Quality Control. The purified pentaerythrityl tetraethylhexanoate undergoes quality checks to ensure it meets the required standards. After quality control, it is packaged for use in cosmetic and skincare products, where it utilizes its properties as an emollient.

It appears as a white powder or colourless liquid.

What it is used for and where

Cosmetic Raw Materials

Cosmetics

Binder, skin conditioning agent, occlusive agent, viscosity increasing agent, non-aqueous suitable for oil/water emulsions. Produces a moisturising effect and is, for this purpose, often accompanied by Cetyl ethylhexanoate and Hydrogenated polydecene. 

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Pentaerythrityl Tetraethylhexanoate studies

• Molecular Formula       C₃₇H₆₈O₈
• Molecular Weight          640.9
• Exact Mass    640.49100
• CAS  7299-99-2
• UNII    XJ7052W897
• EC Number   230-743-8
• DSSTox Substance ID  DTXSID90864037
• IUPAC  [3-(2-ethylhexanoyloxy)-2,2-bis(2-ethylhexanoyloxymethyl)propyl] 2-ethylhexanoate
• InChl=1S/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3  
• InChl Key      DRRMRHKHTQRWMB-UHFFFAOYSA-N
• SMILES

   CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC

• SCHEMBL93763   
• RXCUI      1426406

Synonyms

• Pentaerithrol, tetrakis-(2-ethylhexanoate)
• Pentaerythrityl Mononitrate
• Pentaerythritol mononitrate
• [3-(2-ethylhexanoyloxy)-2,2-bis(2-ethylhexanoyloxymethyl)propyl] 2-ethylhexanoate
• pentaerythritol tetra-2-ethylhexanoic acid
• 2-(hydroxymethyl)-2-(nitrooxymethyl)-1,3-propanediol
• 2,2-bis(hydroxymethyl)propane-1,3-diol mononitrate