3,3-Dimethylhexane

3,3-Dimethylhexane is a colourless, odourless liquid, chemical compound in the family of hydrocarbons which has a formula of C8H18. It is an isomer of octane, where two methylene hydrogens at the third position in a hexane molecule have been replaced with two methyl groups.[2][3][4][5]

3,3-Dimethylhexane
Names
Preferred IUPAC name
3,3 Dimethylhexane
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.008.404
EC Number
  • 209-243-9
UNII
UN number 1262[1]
  • InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3 checkY
    Key: KUMXLFIBWFCMOJ-UHFFFAOYSA-N checkY
  • CCCC(C)(C)CC
Properties
C8H18
Molar mass 114.232 g·mol−1
Appearance Colourless liquid
Odor Odourless
Melting point −126.10 °C; −194.98 °F; 147.05 K
Boiling point 111.90 °C; 233.42 °F; 385.05 K
Hazards
GHS labelling:
GHS02: Flammable GHS07: Exclamation mark GHS08: Health hazard GHS09: Environmental hazard
Danger
H225, H304, H315, H336, H410
P210, P261, P273, P301+P310, P331
Flash point 7 °C (45 °F; 280 K)
425 °C (797 °F; 698 K)
Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

3,3-Dimethylhexane is found in various herbs and spices. It is also a constituent in the oil of osmanthus fragrans and Ginseng. 3,3-Dimethylhexane is an acyclic alkane, where there are no cycles in the structure of the molecule.[6]

It is one of the main extracts from cinnamon bark using supercritical carbon dioxide extraction, with it being 10.6% of the extracted material; it is second behind trans-cinnamaldehyde with it being 32.1% of the extracted material.[7]

Uses

3,3-dimethylhexane can be used in the production of phytochemical compounds which are effective in the removal of heavy metals, since when cyanobacteria are exposed to aliphatic compounds, or alkanes, and some heavy metals they produce phytochemical compounds which are effective in the removal of heavy metals. 3,3-dimethylhexane being both an alkane and an aliphatic compound can be used in this process.[8]

References
  1. PubChem. "3,3-Dimethylhexane". pubchem.ncbi.nlm.nih.gov. Retrieved 2021-08-22.
  2. "Substance Information - ECHA". echa.europa.eu. Retrieved 2021-08-22.
  3. PubChem. "3,3-Dimethylhexane". pubchem.ncbi.nlm.nih.gov. Retrieved 2021-08-22.
  4. "3,3-Dimethylhexane | C8H18 | ChemSpider". www.chemspider.com. Retrieved 2021-08-22.
  5. "3,3-dimethylhexane (CHEBI:132182)". www.ebi.ac.uk. Retrieved 2021-08-22.
  6. "T3DB: 3,3-Dimethylhexane". www.t3db.ca. Retrieved 2023-05-04.
  7. Wang, Yang; Dai, Pei-Pei; Guo, Shan-Shan; Cao, Ju-Qin; Pang, Xue; Geng, Zhu-Feng; Sang, Yu-Li; Du, Shu-Shan (2018-08-01). "Supercritical carbon dioxide extract of Cinnamomum cassia bark: toxicity and repellency against two stored-product beetle species". Environmental Science and Pollution Research. 25 (22): 22236–22243. doi:10.1007/s11356-018-2342-2. ISSN 1614-7499.
  8. Ghorbani, Elham; Nowruzi, Bahareh; Nezhadali, Masoumeh; Hekmat, Azadeh (2022-02-17). "Metal removal capability of two cyanobacterial species in autotrophic and mixotrophic mode of nutrition". BMC Microbiology. 22 (1): 58. doi:10.1186/s12866-022-02471-8. ISSN 1471-2180. PMC 8851847. PMID 35176992.
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