Chemical Property of 2,2,4-Trimethylpentane
Chemical Property:
- Appearance/Colour:colourless liquid
- Vapor Pressure:41 mm Hg ( 21 °C)
- Melting Point:-107 °C
- Refractive Index:n20/D 1.391(lit.)
- Boiling Point:98.8 °C at 760 mmHg
- PKA:>14 (Schwarzenbach et al., 1993)
- Flash Point:18°F
- PSA：0.00000
- Density:0.692 g/cm3
- LogP:3.07860
- Storage Temp.:Flammables area
- Solubility.:water: insoluble
- Water Solubility.:INSOLUBLE
- XLogP3:3.8
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:0
- Rotatable Bond Count:2
- Exact Mass:114.140850574
- Heavy Atom Count:8
- Complexity:54.9
- Transport DOT Label:Flammable Liquid
- Purity/Quality:
-
99% *data from raw suppliers
2,2,4-Trimethylpentane [for HPLC Solvent] >99.0%(GC) *data from reagent suppliers
Safty Information:
- Pictogram(s):
F, 
Xn, 
N
- Hazard Codes:F,Xn,N
- Statements:
11-38-50/53-65-67
- Safety Statements:
9-16-29-33-60-61-62
- MSDS Files:
-
SDS file from LookChem
Total 1 MSDS from other Authors
Useful:
- Chemical Classes:Solvents -> Aliphatics, Saturated (
- Canonical SMILES:CC(C)CC(C)(C)C
- Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
- Effects of Short Term Exposure:The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the kidneys, liver and nervous system. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis.
- Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking.
-
Description
Isooctane is a flammable liquid isomer of octane. It is best known for defining the octane
number to rate the antiknock quality of gasoline, which is related to engine performance.Since 1930, many chemical processes, such as alkylation
and polymerization, have been developed to increase the production of branched compounds
in refi nery operations. High octane numbers in gasoline are those associated with the alkenes
(olefins) and aromatics, especially akyl benzene compounds. For example, 2-pentene has a
RON of 154. Benzene itself has a RON of 98, but 1,3,5-trimethylbenzene has a RON of 170.
The highest octane numbers in gasoline are associated with cyclic alkenes, but these account
for only a minute fraction of gasoline.
-
Physical properties
Colorless, flammable liquid with a gasoline-like odor. An odor threshold concentration of 670
ppbv was reported by Nagata and Takeuchi (1990).
-
Uses
2,2,4-Trimethylpentane is used as a mobile phase in High Performance Liquid Chromatography and Liquid Chromatography coupled with Mass Spectrometry. Isooctane is a petroleum product, producedby the refining of petroleum. It is used as thestandard in determining the octane numbersof fuels (its antiknock octane number is 100)and as a solvent in chemical analysis. In determining octane numbers of fuels; in spectrophotometric analysis; as solvent and thinner.
