141-04-8

Basic information

• Product Name: Diisobutyl adipate
• Synonyms: adipicacidbis(2-methylpropyl)ester;Bis(2-methylpropyl) hexanedioate;DBE-IB;Diisobutyl hexanedioate;Ftaflex diba;ftaflexdiba;Hexanedioic acid, diisobutyl ester;Isobutyl adipate
• CAS NO: 141-04-8
• Molecular Formula: C₁₄H₂₆O₄
• Molecular Weight: 258.35
• EINECS: 205-450-3
• Product Categories: Fatty Acid Esters (Plasticizer);Functional Materials;Plasticizer;Plasticizers;Polymer Additives;Polymer Science;solvent
• Mol File: 141-04-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: -17°C
• Boiling Point: 293 °C(lit.)
• Flash Point: >230 °F
• Appearance: White crystal
• Density: 0.954 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.75E-07mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility: 42.7mg/L at 25℃
• CAS DataBase Reference: Diisobutyl adipate(CAS DataBase Reference)
• NIST Chemistry Reference: Diisobutyl adipate(141-04-8)
• EPA Substance Registry System: Diisobutyl adipate(141-04-8)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25
• WGK Germany: 1
• RTECS: AV1480000
• TSCA: Yes
• Hazardous Substances Data: 141-04-8(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 141-04-8 differently. You can refer to the following data:
1. Diisobutyl Adipate can be used in?the yeast two-hybrid assay to identify?ligand-dependent interaction between nuclear hormone receptors and coactivators. It can also be employed in microwave-assisted extraction to determine adipate plasticizers in poly(vinyl chloride). Furthermore,?Diisobutyl Adipate is a useful compound for developing antimicrobial agents as antiseptics.
2. Diisobutyl adipate may be used as an analytical reference standard for the determination of the analyte in poly(vinyl chloride) plastics, human serum and food samples by gas chromatography (GC) based analytical techniques.

General Description

Diisobutyl adipate is a bis(2-methylpropyl) ester of adipic acid that is used as a plasticizer and a fatty acid in synthetic oils.

Flammability and Explosibility

Notclassified

Safety Profile

Moderately toxic by intraperitoneal route. Mddly toxic by ingestion. Experimental teratogenic effects. When heated to decomposition it emits acrid smoke and fumes.

InChI:InChI=1/C14H26O4/c1-10(2)8-14(13(17)18,9-11(3)4)7-5-6-12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)(H,17,18)/p-2

Synthetic route

C14H24O4 → Diisobutyl adipate (141-04-8)

Conditions	Yield
With C34H32N2Ru; hydrogen In toluene at 60℃; under 7500.75 Torr; for 18h; Autoclave;	98%

2-methyl-propan-1-ol (78-83-1) + Adipic acid dichloride (111-50-2) → Diisobutyl adipate (141-04-8)

Adipic acid (124-04-9) + 2-methyl-propan-1-ol (78-83-1) → hexanedioic acid monoisobutyl ester + Diisobutyl adipate (141-04-8)

Conditions	Yield
With Candida antarctica lipase immobilized on polyacrylic resin In 1,4-dioxane for 3h; microwave irradiation; Title compound not separated from byproducts;
With Candida antarctica lipase immobilized on polyacrylic resin In 1,4-dioxane at 60℃; for 3h; Title compound not separated from byproducts;

isobutyl acrylate (106-63-8) → Diisobutyl adipate (141-04-8)

Conditions	Yield
Multi-step reaction with 2 steps 1: C34H32N2Ru / toluene / 14 h / 80 °C / Sealed tube; Inert atmosphere 2: C34H32N2Ru; hydrogen / toluene / 18 h / 60 °C / 7500.75 Torr / Autoclave View Scheme

Diisobutyl adipate (141-04-8) → isobutyl 2-oxocyclopentanecarboxylate (162614-04-2)

Conditions	Yield
With sodium

Diisobutyl adipate (141-04-8) → isobutene (115-11-7)

Conditions	Yield
In various solvent(s) at 270℃; Rate constant; olefine elimination;

Diisobutyl adipate (141-04-8) → Isobutane (75-28-5) + isobutene (115-11-7) + pentene(s)

Conditions	Yield
With quinoline at 270℃; Rate constant;

Diisobutyl adipate (141-04-8) + aniline (62-53-3) → N-phenylazepane (40832-99-3)

Conditions	Yield
With methanesulfonic acid; hydrogen; tris(acetylacetonato)ruthenium(III); [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In 1,4-dioxane at 220℃; under 7500.75 Torr; for 70h;	95 %Chromat.

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 111-50-2 Adipic acid dichloride 
• 124-04-9 Adipic acid 
• 106-63-8 isobutyl acrylate 

Downstream Products

• 75-28-5 Isobutane 
• 115-11-7 isobutene 

Relevant articles and documents

Method for catalyzing esterification reaction of low-carbon alcohol by using ionic liquid

The invention discloses a method for catalyzing low-carbon alcohol esterification reaction by ionic liquid, which comprises the following steps: mixing dianhydride or diacid, fatty alcohol and ionic liquid, heating to 100-160 DEG C by microwave, and reacting for 0.5-2 hours to obtain diester; wherein the ionic liquid is [Ps2TMEDA] [HSO4] 2 and/or [Ps2BPy] [HSO4] 2, the molar ratio of the ionic liquid to the dianhydride or diacid is 0.005-0.04, and the molar ratio of the dianhydride or diacid to the fatty alcohol is 1-5. The method is simple in process, mild in condition, convenient to operate, environment-friendly, high in double esterification degree, high in ionic liquid activity and easy to separate.

SKIN EXTERNAL PREPARATIONS AND COSMETICS

An object of the present invention is to provide skin external preparations and cosmetics which contain a branched acyl carnitine and have excellent formulation stability. A skin external preparation of the present invention includes a carnitine derivative represented by the following Formula (1) and/or a carnitine derivative salt represented by the following Formula (2), and an amphoteric surfactant. In Formula (1), R1 and R2 are each independently a C1-18 optionally branched, saturated or unsaturated aliphatic hydrocarbon group. In Formula (2), R1 and R2 are the same as in Formula (1), X? is a specific anion and Y+ is a specific cation.