38447-22-2

Basic information

• Product Name: di-sec-butyl adipate
• Synonyms: di-sec-butyl adipate;Adipic acid di(sec-butyl) ester;Hexanedioic acid di(sec-butyl) ester;Ai3-32693;Einecs 253-936-9;Hexanedioic acid, bis(1-methylpropyl) ester
• CAS NO: 38447-22-2
• Molecular Formula: C₁₄H₂₆O₄
• Molecular Weight: 258.35384
• EINECS: 253-936-9
• Mol File: 38447-22-2.mol

Chemical Properties

• Boiling Point: 281.1°Cat760mmHg
• Flash Point: 122.6°C
• Appearance: /
• Density: 0.966g/cm³
• Vapor Pressure: 0.00364mmHg at 25°C
• Refractive Index: 1.439
• CAS DataBase Reference: di-sec-butyl adipate(CAS DataBase Reference)
• NIST Chemistry Reference: di-sec-butyl adipate(38447-22-2)
• EPA Substance Registry System: di-sec-butyl adipate(38447-22-2)

Safety Data

• Hazardous Substances Data: 38447-22-2(Hazardous Substances Data)

Usage

Uses

Used in Plastics and Resins Industry:
Di-sec-butyl adipate is used as a plasticizer for improving the flexibility and durability of polymers and resins. Its low volatility and good compatibility with various polymers make it a common additive in the production of flexible plastics, such as vinyl.
Used in Cosmetics and Personal Care Products Industry:
Di-sec-butyl adipate is used as an ingredient in the formulation of cosmetics and personal care products to enhance the flexibility and durability of these products.
Used in Other Industrial Applications:
Di-sec-butyl adipate is also used in other industrial applications due to its ability to improve the flexibility and durability of various materials.
Regulation and Monitoring:
Despite its widespread use, di-sec-butyl adipate is subject to regulation and monitoring due to potential health and environmental concerns.

InChI:InChI=1/C14H26O4/c1-5-11(3)17-13(15)9-7-8-10-14(16)18-12(4)6-2/h11-12H,5-10H2,1-4H3

Upstream product

• 201230-82-2 carbon monoxide 
• 106-99-0 buta-1,3-diene 
• 78-92-2 iso-butanol 
• 124-04-9 Adipic acid 

Relevant articles and documents

Efficient Palladium-Catalyzed Carbonylation of 1,3-Dienes: Selective Synthesis of Adipates and Other Aliphatic Diesters

The dicarbonylation of 1,3-butadiene to adipic acid derivatives offers the potential for a more cost-efficient and environmentally benign industrial process. However, the complex reaction network of regioisomeric carbonylation and isomerization pathways, make a selective and direct transformation particularly difficult. Here, we report surprising solvent effects on this palladium-catalysed process in the presence of 1,2-bis-di-tert-butylphosphin-oxylene (dtbpx) ligands, which allow adipate diester formation from 1,3-butadiene, carbon monoxide, and methanol with 97 % selectivity and 100 % atom-economy under scalable conditions. Under optimal conditions a variety of di- and triesters from 1,2- and 1,3-dienes can be obtained in good to excellent yields.

Direct synthesis of adipic acid esters via palladium-catalyzed carbonylation of 1,3-dienes

The direct carbonylation of 1,3-butadiene offers the potential for a more cost-efficient and environmentally benign route to industrially important adipic acid derivatives. However, owing to the complex reaction network of regioisomeric carbonylation and isomerization pathways, a selective practical catalyst for this process has thus far proven elusive. Here, we report the design of a pyridyl-substituted bidentate phosphine ligand (HeMaRaphos) that, upon coordination to palladium, catalyzes adipate diester formation from 1,3-butadiene, carbon monoxide, and butanol with 97% selectivity and 100% atom-economy under industrially viable and scalable conditions (turnover number > 60,000). This catalyst system also affords access to a variety of other di- and triesters from 1,2- and 1,3-dienes.