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32291 Sigma-Aldrich

2,2,4-Trimethylpentane

puriss. p.a., ≥99.5% (GC)

Synonym: Isooctane

  • CAS Number 540-84-1

  • Linear Formula (CH3)2CHCH2C(CH3)3

  • Molecular Weight 114.23

  •  Beilstein/REAXYS Number 1696876

  •  EC Number 208-759-1

  •  MDL number MFCD00008943

  •  PubChem Substance ID 329754125

  •  NACRES NA.21

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Properties

Related Categories Amber Glass Bottles, Analytical Reagents, Analytical Reagents for General Use, Analytical/Chromatography, Puriss p.a.,
Quality Level   100
vapor density   3.9 (vs air)
vapor pressure   41 mmHg ( 21 °C)
grade   puriss. p.a.
assay   ≥99.5% (GC)
autoignition temp.   745 °F
expl. lim.   6 %
impurities   ≤0.0005% free acid (as CH3COOH)
  ≤0.001% non-volatile matter
  ≤0.005% S-compounds (as S)
  ≤0.01% water (Karl Fischer)
refractive index   n20/D 1.391 (lit.)
  n20/D 1.3915-1.3925
bp   98-99 °C (lit.)
mp   −107 °C (lit.)
density   0.692 g/mL at 25 °C (lit.)
cation traces   Al: ≤0.5 mg/kg
  B: ≤0.02 mg/kg
  Ba: ≤0.1 mg/kg
  Ca: ≤0.5 mg/kg
  Cd: ≤0.05 mg/kg
  Co: ≤0.02 mg/kg
  Cr: ≤0.02 mg/kg
  Cu: ≤0.02 mg/kg
  Fe: ≤0.1 mg/kg
  Mg: ≤0.1 mg/kg
  Mn: ≤0.02 mg/kg
  Ni: ≤0.02 mg/kg
  Pb: ≤0.1 mg/kg
  Sn: ≤0.1 mg/kg
  Zn: ≤0.1 mg/kg
SMILES string   CC(C)CC(C)(C)C
InChI   1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChI key   NHTMVDHEPJAVLT-UHFFFAOYSA-N

Description

General description

2,2,4-Trimethylpentane (TMP, isooctane) is a saturated, branched hydrocarbon. It has been reported to be nephrotoxic to male rats. Density and viscosity of TMP at various temperatures (198K - 348K) and pressures (100MPa) has been evaluated. It has been identified as nephrotoxicity inducing component in unleaded gasoline.

Application

2,2,4-Trimethylpentane (TMP, isooctane) may be used to evaluate various physical properties (densities, viscosities, refractive indexes and surface tensions) of the binary mixtures of TMP and cyclohexane.

Other Notes

The article number 32291-4X2.5L will be discontinued. Please order the single bottle 32291-2.5L which is physically identical with the same exact specifications.
The article number 32291-4X2.5L-M will be discontinued. Please order the single bottle 32291-2.5L-M which is physically identical with the same exact specifications.

Pertains only in Germany: unversteuert

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1262 - class 3 - PG 2 - Octanes
WGK Germany 
WGK 2
RTECS 
SA3320000
Flash Point(F) 
10.4 °F - closed cup
Flash Point(C) 
-12 °C - closed cup
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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