16747-25-4

Basic information

• Product Name: 2,2,4-TRIMETHYLHEXANE
• Synonyms: 2,2,3-TRIMETHYLHEXANE;2,2,4-TRIMETHYLHEXANE
• CAS NO: 16747-25-4
• Molecular Formula: C₉H₂₀
• Molecular Weight: 128.26
• EINECS: 240-807-7
• Mol File: 16747-25-4.mol
• Article Data: 0

Chemical Properties

• Melting Point: -119.99°C
• Boiling Point: 125-127 °C(lit.)
• Flash Point: 25.4°C
• Appearance: /
• Density: 0.716 g/mL at 20 °C(lit.)
• Vapor Pressure: 10.3mmHg at 25°C
• Refractive Index: n20/D 1.403
• Water Solubility: 362.3ug/L(temperature not stated)
• CAS DataBase Reference: 2,2,4-TRIMETHYLHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4-TRIMETHYLHEXANE(16747-25-4)
• EPA Substance Registry System: 2,2,4-TRIMETHYLHEXANE(16747-25-4)

Safety Data

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16
• RIDADR: UN 3295 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 16747-25-4(Hazardous Substances Data)

Usage

Physical State

2,2,4-Trimethylhexane is a colorless liquid.

Molecular Structure

It is a branched-chain alkane with a six-carbon chain and three methyl groups attached to the second and fourth carbon atoms.

Industrial Applications

It is used as a solvent in various applications such as adhesives, coatings, and printing inks.

Fuel Additive

2,2,4-Trimethylhexane is used to improve the octane rating of gasoline.

Flammability

The chemical is flammable, so it should be handled with caution to avoid potential hazards.

InChI:InChI=1/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3

Upstream product

• 5187-21-3 2,2,3-trimethylhex-4-yn-3-ol 
• 2809-84-9 2-(tert-butyl)-but-1-en-3-yne 
• 2809-73-6 2-tert-butyl-pent-1-en-3-yne 

Related news

Predicting the pressure dependence of the viscosity of 2,2,4-TRIMETHYLHEXANE (cas 16747-25-4) using the SAFT coarse-grained force field07/19/2019

This work is framed within AIChE's 10th Industrial Fluid Properties Simulation Challenge, with the aim of assessing the capability of molecular simulation methods and force fields to accurately predict the pressure dependence of the shear viscosity of 2,2,4-trimethylhexane at 293.15 K (20 °...detailed

Pressure-viscosity relation of 2,2,4-TRIMETHYLHEXANE (cas 16747-25-4) predicted using all-atom TEAM force field07/18/2019

The pressure-dependent viscosity of 2,2,4-trimethylhexane is predicted using all-atom TEAM force field and the non-equilibrium periodic perturbation (PP) method. The viscosities predicted using the PP method do not show Newtonian plateau in the precision range of prediction for high-viscosity fl...detailed

Determination of pressure-viscosity relation of 2,2,4-TRIMETHYLHEXANE (cas 16747-25-4) by all-atom molecular dynamics simulations07/17/2019

The Newtonian viscosity of 2,2,4-trimethylhexane at 293 K is determined at pressures from 0.1 MPa to 1000 MPa. Non-equilibrium molecular dynamics simulations are performed using AIREBO-M, an all-atom potential for hydrocarbons especially parameterized for high pressures. The steady-state shear s...detailed