2,2-Dimethylbutane

2,2-Dimethylbutane, trivially known as neohexane, is an organic compound with formula C6H14 or (H3C-)3-C-CH2-CH3. It is therefore an alkane, indeed the most compact and branched of the hexane isomers — the only one with a quaternary carbon and a butane (C4) backbone. It can be synthesised by the hydroisomerisation of 2,3-dimethylbutane using an acid catalyst.[4]

2,2-Dimethylbutane
Ball stick model of 2,2-dimethylbutane
Spacefill model of 2,2-dimethylbutane
Names
IUPAC name
2,2-Dimethylbutane[1]
Other names
Neohexane,[2] 22DMB
Identifiers
3D model (JSmol)
1730736
ChEMBL
ChemSpider
ECHA InfoCard 100.000.825
EC Number
  • 200-906-8
RTECS number
  • EJ9300000
UNII
UN number 1208
Properties
C6H14
Molar mass 86.178 g·mol−1
Appearance Colorless liquid
Odor Odorless
Density 649 mg mL−1
Melting point −102 to −98 °C; −152 to −145 °F; 171 to 175 K
Boiling point 49.7 to 49.9 °C; 121.4 to 121.7 °F; 322.8 to 323.0 K
log P 3.51
Vapor pressure 36.88 kPa (at 20 °C)
6.5 nmol Pa−1 kg−1
-76.24·10−6 cm3/mol
1.369
Thermochemistry
189.67 J K−1 mol−1
272.00 J K−1 mol−1
Std enthalpy of
formation (ΔfH⦵298)
 −214.4–−212.4 kJ mol−1
Std enthalpy of
combustion (ΔcH⦵298)
 −4.1494–−4.1476 MJ mol−1
Hazards
GHS pictograms
GHS Signal word Danger
GHS hazard statements
 H225, H304, H315, H336, H411
P210, P261, P273, P301+310, P331
NFPA 704 (fire diamond)
Flammability code 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineHealth code 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineReactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
1
0
Flash point −29 °C (−20 °F; 244 K)
425 °C (797 °F; 698 K)
Explosive limits 1.2–7.7%
NIOSH (US health exposure limits):
PEL (Permissible)
 none[3]
Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

See also

References
  1. "2,2-DIMETHYLBUTANE - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification and Related Records. Retrieved 9 March 2012.
  2. Haynes, William M. (2010). Handbook of Chemistry and Physics (91 ed.). Boca Raton, Florida: CRC Press. p. 3-194. ISBN 978-1439820773.
  3. NIOSH Pocket Guide to Chemical Hazards. "#0323". National Institute for Occupational Safety and Health (NIOSH).
  4. "2,2-dimethylbutane". National Center for Biotechnology Information. 18 July 2015. Retrieved 20 July 2015.


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