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CAS 590-73-8

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2,2-dimethylhexane

Description:
2,2-Dimethylhexane is an organic compound classified as an alkane, specifically a branched-chain hydrocarbon. Its molecular formula is C8H18, indicating it consists of eight carbon atoms and eighteen hydrogen atoms. This compound features a hexane backbone with two methyl groups attached to the second carbon atom, contributing to its branched structure. 2,2-Dimethylhexane is a colorless liquid at room temperature and has a relatively low boiling point compared to straight-chain alkanes of similar molecular weight, due to its branched nature, which reduces surface area and van der Waals forces. It is insoluble in water but soluble in organic solvents, making it useful in various industrial applications, including as a solvent and in fuel formulations. The compound is also of interest in studies related to octane ratings in fuels, as branched alkanes typically exhibit higher octane numbers than their straight-chain counterparts. Safety considerations include flammability and potential health effects upon inhalation or skin contact, necessitating proper handling and storage protocols.
Formula:C8H18
InChI:InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3
InChI key:InChIKey=FLTJDUOFAQWHDF-UHFFFAOYSA-N
SMILES:C(C(C)(C)C)CCC
Synonyms:
  • 2,2-Dimethyl hexane
  • Hexane, 2,2-dimethyl-
  • NSC 174065
  • 2,2-Dimethylhexane
  • N-BUTYLTRIMETHYLMETHANE
  • 2,2,5-Trimethylpentane
  • (CH3)3C(CH2)3CH3
  • N-BUTYLTRIMETHYLMETHANE 99%
  • 2,2-DIMETHYLHEXANE 99%
  • n-Butyltrimethylmathane
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