1. Introduction of 2,2,4-Trimethylpentane
The 2,2,4-Trimethylpentane, also known as Isooctane, is an organic compound with the formula C₈H₁₈. It belongs to the product categories of Industrial/Fine Chemicals; Organics; Analytical Chemistry; HPLC Solvents; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; Leda Hplc. Its EINECS registry number is 208-759-1. With the CAS registry number 540-84-1, its IUPAC name is 2,2,4-trimethylpentane.

2. Properties of 2,2,4-Trimethylpentane
Physical properties of 2,2,4-Trimethylpentane: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 4.46; (3)ACD/LogD (pH 7.4): 4.46; (4)ACD/BCF (pH 5.5): 1435.33; (5)ACD/BCF (pH 7.4): 1435.33; (6)ACD/KOC (pH 5.5): 6329.15; (7)ACD/KOC (pH 7.4): 6329.15; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.4; (10)Molar Refractivity: 39.03 cm³; (11)Molar Volume: 161 cm³; (12)Surface Tension: 20.5 dyne/cm; (13)Density: 0.709 g/cm³; (14)Enthalpy of Vaporization: 30.79 kJ/mol; (15)Boiling Point: 98.8 °C at 760 mmHg; (16)Vapour Pressure: 45.2 mmHg at 25°C.

3. Structure Descriptors of 2,2,4-Trimethylpentane
(1)Canonical SMILES: CC(C)CC(C)(C)C
(2)InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
(3)InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N

4. Preparation of 2,2,4-Trimethylpentane
2,2,4-Trimethylpentane is synthesized industrially from isobutylene. Isobutylene is first dimerized using an Amberlyst catalyst to produce a mixture of iso-octenes. Hydrogenation of this mixture produces 2,2,4-trimethylpentane.

5. Use of 2,2,4-Trimethylpentane
2,2,4-Trimethylpentane can be used to produce 1-chloro-2,2,4-trimethyl-pentane at temperature of 85 °C. This reaction will need reagent sulfuryl chloride and solvent benzene. The yield is about 20%.

6. Health Hazard Information of 2,2,4-Trimethylpentane
Acute Effects:
During an accident, 2,2,4-trimethylpentane penetrated the skin of a human which caused necrosis of the skin and tissue in the hand and required surgery. No other information is available on the acute effects in humans.
Irritation of the lungs, edema, and hemorrhage have been reported in rodents acutely exposed by inhalation and injection.
Central nervous system (CNS) depression has been reported in mice following acute inhalation exposure.
Chronic Effects (Noncancer):
No information is available on the chronic effects of 2,2,4-trimethylpentane in humans.
Kidney and liver effects have been observed in rats chronically exposed via gavage and inhalation.
EPA has not established a Reference Concentration (RfC) or a Reference Dose (RfD) for 2,2,4-trimethylpentane.
Reproductive/Developmental Effects:
No information is available on the reproductive or developmental effects of 2,2,4-trimethylpentane in humans or animals.
Cancer Risk:
No information is available on the carcinogenic effects of 2,2,4-trimethylpentane in humans or animals.
EPA has not classified 2,2,4-trimethylpentane with respect to potential carcinogenicity.

7. Other details of 2,2,4-Trimethylpentane
When you are using this chemical, please be cautious about it as the following:
2,2,4-Trimethylpentane may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to health. In addition, it is irritating to skin. This chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. You should keep it away from sources of ignition - No smoking. What's more, you should take precautionary measures against static discharges.