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2,2-Dimethylbutane

2,2-Dimethylbutane
Names Preferred IUPAC name
2,2-Dimethylbutane
Other names
Neohexane, 22DMB
Identifiers
3D model (JSmol)
1730736 ChEMBL
ChemSpider
ECHA InfoCard100.000.825EC Number
  • 200-906-8
RTECS number
  • EJ9300000
UNII
UN number1208
  • InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
    Key: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
  • CCC(C)(C)C
Properties C6H14Molar mass86.178 g·mol Appearance Colorless liquid OdorOdorless Density649 g/L Melting point−102 to −98 °C; −152 to −145 °F; 171 to 175 K Boiling point49.7 to 49.9 °C; 121.4 to 121.7 °F; 322.8 to 323.0 K log P3.51 Vapor pressure36.88 kPa (at 20 °C) 6.5 nmol Pa kg −76.24·10 cm/mol 1.3688 Thermochemistry 189.67 J K mol 272.00 J K mol −214.4 – −212.4 kJ mol −4.1494 – −4.1476 MJ mol Hazards GHS labelling: DangerH225, H304, H315, H336, H411P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501NFPA 704 (fire diamond)
2
3
0
Flash point−48 °C (−54 °F; 225 K) closed cup 405 °C (761 °F; 678 K) Explosive limits1.2–7.7% NIOSH (US health exposure limits):
PEL (Permissible)
none Related compounds
Related alkanes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkYverify (  ?)

2,2-Dimethylbutane, trivially known as neohexane at William Odling's 1876 suggestion, 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.

Wikipedia source