3089-24-5

Basic information

• Product Name: 2,2,4-trimethylhexane-1,6-diol
• Synonyms: 2,2,4-trimethylhexane-1,6-diol;2,2,4-Trimethyl-1,6-hexanediol;1,6-Hexanediol, 2,2,4-trimethyl-;Einecs 221-429-1
• CAS NO: 3089-24-5
• Molecular Formula: C₉H₂₀O₂
• Molecular Weight: 160.2539
• EINECS: 221-429-1
• Mol File: 3089-24-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 97-99 °C
• Boiling Point: 241.9°Cat760mmHg
• Flash Point: 105°C
• Appearance: /
• Density: 0.928g/cm³
• Vapor Pressure: 0.00599mmHg at 25°C
• Refractive Index: 1.454
• PKA: 15.12±0.10(Predicted)
• CAS DataBase Reference: 2,2,4-trimethylhexane-1,6-diol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4-trimethylhexane-1,6-diol(3089-24-5)
• EPA Substance Registry System: 2,2,4-trimethylhexane-1,6-diol(3089-24-5)

Safety Data

• Hazardous Substances Data: 3089-24-5(Hazardous Substances Data)

Usage

General Description

2,2,4-trimethylhexane-1,6-diol is an organic compound with the molecular formula C8H18O2. It is a diol, meaning it contains two hydroxyl groups, and is formed by the reaction of 2,2,4-trimethylhexane with hydrogen peroxide. It is commonly used as a monomer in the production of polymers and resins, as well as a solvent and a component in various industrial and consumer products. 2,2,4-trimethylhexane-1,6-diol has a wide range of applications in the chemical industry, including in the production of adhesives, coatings, and lubricants. It is also used as a plasticizer and a precursor to various other chemicals and materials.

InChI:InChI=1/C9H20O2/c1-8(4-5-10)6-9(2,3)7-11/h8,10-11H,4-7H2,1-3H3

Upstream product

• 2549-57-7 β,δ,δ-trimethyl-ε-caprolactone 

Downstream Products

• 2549-57-7 β,δ,δ-trimethyl-ε-caprolactone 
• 1257659-95-2 C₉H₁₈O₂ 

Relevant articles and documents

Lactones 34 [1]. Application of alcohol dehydrogenase from horse liver (HLADH) in enantioselective synthesis of δ- and ε-lactones

The ability of horse liver alcohol dehydrogenase (HLADH) to the enantioselective oxidation of primary-primary, primary-secondary and primary-tertiary aliphatic 1,5- and 1,6-diols 1a-i was studied. No enantioselectivity of the transformations of primary-primary 1,6-diols 1a-d to ε-lactones 4a-d was observed. Regioselective oxidation of primary-secondary 1,6-diols 1e,f and 1,5-diols 1h,i afforded enantiomerically enriched ε-lactones 4e,f and δ-lactones 4h,i. ε-Lactones 4e,f were formed with higher enantiomeric excesses (e.e. = 85-99%). Enzymatic oxidation of primary-tertiary 1,6-diol 1g did not give lactone product.