16544-70-0

Basic information

• Product Name: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
• Synonyms: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
• CAS NO: 16544-70-0
• Molecular Formula: C₂₄H₄₄O₇
• Molecular Weight: 444.6
• Mol File: 16544-70-0.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester(16544-70-0)
• EPA Substance Registry System: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester(16544-70-0)

Safety Data

• Hazardous Substances Data: 16544-70-0(Hazardous Substances Data)

Usage

General Description

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester is a chemical compound commonly known as trihexyl citrate. It is often used as a plasticizer in various types of polymers and resins to improve flexibility and durability. Trihexyl citrate is also found in some food and beverage packaging as a non-toxic alternative to phthalate plasticizers. In addition, it is used in cosmetics and personal care products as an emollient and skin conditioning agent. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester has been deemed safe for use in consumer products by regulatory agencies such as the US Food and Drug Administration.

InChI:InChI=1S/C24H44O7/c1-4-7-10-13-16-29-21(25)19-24(28,23(27)31-18-15-12-9-6-3)20-22(26)30-17-14-11-8-5-2/h28H,4-20H2,1-3H3

Upstream product

• 111-27-3 hexan-1-ol 
• 24555-16-6 citric acid anhydride 
• 77-94-1 Citroflex-4 
• 7664-93-9 sulfuric acid 
• 77-92-9 citric acid 

Downstream Products

• 82469-79-2 n-butyryl tri-n-hexyl citrate 
• 107-92-6 butyric acid 

Relevant articles and documents

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PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME

Provided is a plasticizer composition including: a cyclohexane-1,2-diester-based substance of the following Chemical Formula 1; and a citrate-based substance of the following Chemical Formula 2: wherein in Chemical Formula 1 and Chemical Formula 2: R1 and R2 each independently are a C8 to C10 alkyl group; and R3 to R5 each independently are a C5 to C10 alkyl group.

Sulfonated graphene as highly efficient and reusable acid carbocatalyst for the synthesis of ester plasticizers

Plasticizers are well known for their effectiveness in producing flexible plastics. The automotive, plastic and pharmaceutical industries, essential to a healthy economy, rely heavily on plasticizers to produce everything from construction materials to medical devices, cosmetics, children toys, food wraps, adhesives, paints, and 'wonder drugs'. Although H2SO4 is commonly used as commodity catalyst for plasticizer synthesis it is energy-inefficient, non-recyclable, and requires tedious separation from the homogeneous reaction mixture resulting in abundant non-recyclable acid waste. In this study, for the first time, we report an efficient synthesis of ester plasticizers (>90% yields) using sulfonated graphene (GSO3H) as an energy-efficient, water tolerant, reusable and highly active solid acid carbocatalyst. The hydrothermal sulfonation of reduced graphene oxide with fuming H2SO4 at 120°C for 3 days afforded GSO3H with remarkable acid activity as demonstrated by 31P magic-angle spinning (MAS) NMR spectroscopy. The superior catalytic performance of GSO3H over traditional homogeneous acids, Amberlyst-15, and acidic ionic liquids has been attributed to the presence of highly acidic and stable sulfonic acid groups within the two dimensional graphene domain, which synergistically work for high mass transfer in the reaction. Furthermore, the preliminary experimental results indicate that GSO3H is quite effective as a catalyst in the esterification of oleic and salicylic acid and thus may pave the way for its broad industrial applications in the near future.