Date published: 2026-1-6

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2,3,3-Trimethylpentane (CAS 560-21-4)

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CAS Number:
560-21-4
Molecular Weight:
114.28
Molecular Formula:
C8H18
Supplemental Information:
This is classified as a Dangerous Good for transport and may be subject to additional shipping charges.
For Research Use Only. Not Intended for Diagnostic or Therapeutic Use.
* Refer to Certificate of Analysis for lot specific data.

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2,3,3-Trimethylpentane, also known as iso-octane, is a highly branched hydrocarbon. Due to its high octane rating and low reactivity, it has been the subject of extensive research in the field of combustion chemistry. It is used as a reference fuel in engine testing and may act to improve engine performance and reduce emissions when used as a blending component in gasoline. There is limited research on the biochemical and physiological effects of 2,3,3-Trimethylpentane, as it is primarily used as an industrial chemical. However, exposure to high levels can cause irritation to the eyes, skin, and respiratory system.


2,3,3-Trimethylpentane (CAS 560-21-4) References

  1. Release of volatile organic compounds (VOCs) from the lung cancer cell line CALU-1 in vitro.  |  Filipiak, W., et al. 2008. Cancer Cell Int. 8: 17. PMID: 19025629
  2. Neural networks in analytical chemistry.  |  Jalali-Heravi, M. 2008. Methods Mol Biol. 458: 81-121. PMID: 19065807
  3. Multivariate study of different beef quality traits from local Spanish cattle breeds.  |  Insausti, K., et al. 2008. Animal. 2: 447-58. PMID: 22445048
  4. Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane.  |  Hachim, ME., et al. 2020. J Mol Model. 26: 168. PMID: 32514768
  5. Metabolic and environmental origins of volatile organic compounds in breath.  |  Phillips, M., et al. 1994. J Clin Pathol. 47: 1052-3. PMID: 7829686
  6. Identification of hepatic mitogenic and cytochrome P-450-inducing fractions of unleaded gasoline in B6C3F1 mice.  |  Standeven, AM. and Goldsworthy, TL. 1994. J Toxicol Environ Health. 43: 213-24. PMID: 7932850
  7. A New Topological Index for Molecular Probes Used in Inverse Gas Chromatography for the Surface Nanorugosity Evaluation.  |  Brendlé, E. and Papirer, E. 1997. J Colloid Interface Sci. 194: 207-16. PMID: 9367599
  8. Vibrational Analysis Of Some Trimethylalkanes  |  G.A. Crowder and Lorelei Gross. 1983. Journal of Molecular Structure. 102: 257-266.

Ordering Information

Product NameCatalog #UNITPriceQtyFAVORITES

2,3,3-Trimethylpentane, 500 mg

sc-256288
500 mg
$215.00