18491-15-1

Basic information

• Product Name: 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate
• Synonyms: 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate;2,2,4-Trimethyl-1,3-pentanediol 3-isobutyrate;2-Methylpropanoic acid 1-hydroxy-2,2,4-trimethylpentan-3-yl ester;2-Methylpropanoic acid 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl ester;Isobutyric acid 1-isopropyl-2,2-dimethyl-3-hydroxypropyl ester;Einecs 242-375-5
• CAS NO: 18491-15-1
• Molecular Formula: C₁₂H₂₄O₃
• Molecular Weight: 216.31716
• EINECS: 242-375-5
• Mol File: 18491-15-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 249°C at 760 mmHg
• Flash Point: 85.1°C
• Appearance: /
• Density: 0.945g/cm³
• Vapor Pressure: 0.00378mmHg at 25°C
• Refractive Index: 1.444
• Solubility: Ethyl Acetate, Methanol
• CAS DataBase Reference: 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate(18491-15-1)
• EPA Substance Registry System: 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate(18491-15-1)

Safety Data

• Hazardous Substances Data: 18491-15-1(Hazardous Substances Data)

Usage

Description

3-Hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate is a complex organic compound with a unique chemical structure. It is characterized by its hydroxyl and ester functional groups, which contribute to its versatile properties and potential applications in various industries.

Uses

Used in Chemical Synthesis:
3-Hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate is used as an intermediate in the chemical synthesis process for creating a variety of products. Its unique structure allows it to be a valuable building block for the development of new compounds with specific properties and applications.
Used in Plasticizer Production:
In the plastics industry, 3-Hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate is used as an intermediate in the synthesis of plasticizers. These plasticizers are essential additives that enhance the flexibility, workability, and durability of various types of plastics, making them suitable for a wide range of applications.
Used in Nanocomposite Coatings:
3-Hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate is also utilized in the development of hard and flexible nanocomposite coatings. These coatings are designed to provide enhanced protection, durability, and performance for various surfaces, including metals, plastics, and other materials.

InChI:InChI=1/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

Upstream product

• 78-84-2 isobutyraldehyde 
• 144-19-4 2,2,4-trimethylpentan-1,3-diol 

Relevant articles and documents

Trimerization of aldehydes with one α-hydrogen catalyzed by sodium hydroxide

Trimerization of 2-methylpropanal (isobutyraldehyde) is a simple and effective method to synthesize 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate and 2,2,4-trimethyl-1,3-pentanediol-3-monoisobutyrate which are often used as film forming auxiliaries in paints. The use of solid sodium hydroxide as a catalyst provides an excellent yield of above 85 % after the optimization of the reaction time and the catalyst dosage. Furthermore, trimerization of four other aldehydes with one α-hydrogen catalyzed by solid sodium hydroxide can also take place and the yield of 1,3-diol monoesters reaches 50-70 %. Trimerization of aldehydes with one α-hydrogen can be explained by a three-step reaction mechanism: (i) aldol condensation of aldehyde; (ii) crossed Cannizzaro reaction; and (iii) esterification of carboxylic acid and alcohol.

SELECTIVE TRIMERIZATION OF ALIPHATIC ALDEHYDES CATALYZED BY POLYNUCLEAR CARBONYLFERRATES

Aliphatic aldehydes undergo a catalytic trimerization to give 1,3-diol monoesters upon treatment with Fe3(CO)12 in pyridine or with Fe3(CO)12-pyridine N-oxide in benzene.Polynuclear carbonylferrates serve as catalyst for this transformation.