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Substance Name: 2,2,4-Trimethylhexane
RN: 16747-26-5
UNII: 68L13E286X
InChIKey: AFTPEBDOGXRMNQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H20

Molecular Weight

  • 128.257
 
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Names and Synonyms

Name of Substance

  • 2,2,4-Trimethylhexane

Synonyms

  • 2,2,4-Trimethylhexane
  • AI3-28854
  • EINECS 240-807-7
  • UNII-68L13E286X

Systematic Names

  • 2,2,4-Trimethylhexane
  • Hexane, 2,2,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 16747-26-5

FDA UNII

  • 68L13E286X

System Generated Number

  • 0016747265

Structure Descriptors

InChI

1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3

InChIKey

AFTPEBDOGXRMNQ-UHFFFAOYSA-N

Smiles

C(C[C@@H](CC)C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.20E+02 deg C   EXP
Boiling Point 126.5 deg C   EXP
log P (octanol-water) 4.580 (none)   EST
Water Solubility 3.350 mg/L 25 EST
Vapor Pressure 15.9 mm Hg 25 EXP
Henry's Law Constant 4.000 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.33E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.