59045

2,2,4-Trimethylpentane

puriss. p.a., ACS reagent, ≥99.5% (GC)

• Synonym(s): Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein/REAXYS Number: 1696876
• EC Number: 208-759-1
• MDL number: MFCD00008943
• UNSPSC Code: 12352300
• PubChem Substance ID: 329758564
• NACRES: NA.21
• assay: ≥99.5% (GC)
• bp: 98-99 °C (lit.)
• vapor pressure: 41 mmHg ( 21 °C)

Properties

• grade: ACS reagent; puriss. p.a.
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 745 °F
• expl. lim.: 6 %
• impurities: ≤0.002% free acid (as CH₃COOH); ≤0.005% sulfur compounds (as S)
• evapn. residue: ≤0.001%
• refractive index: n20/D 1.391 (lit.); n20/D 1.391
• 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; Ba: ≤0.1 mg/kg; Bi: ≤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; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤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.[1] It has been reported to be nephrotoxic to male rats.[2] Density and viscosity of TMP at various temperatures (198K-348K) and pressures (100MPa) has been evaluated.[3] It has been identified as nephrotoxicity inducing component in unleaded gasoline.[1] Single-photon absorption spectra of its pure liquid form under vacuum ultraviolet excitation have been investigated.[4] It is a reference standard employed for the octane rating system of gasoline and has been assigned octane rating of 100.6

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.[5]

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup