2,2,4-Trimethylpentane
SIGALD/32291 - puriss. p.a., ≥99.5% (GC)
Synonym: Isooctane
CAS Number: 540-84-1
Empirical Formula (Hill Notation): C8H18
Molecular Weight: 114.23
EC Number: 208-759-1
MDL Number: MFCD00008943
Linear Formula: (CH3)2CHCH2C(CH3)3
Product Type: Chemical
| assay | ≥99.5% (GC) |
| autoignition temp. | 745 °F |
| bp | 98-99 °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 | |
| density | 0.692 g/mL at 25 °C (lit.) |
| expl. lim. | 6 % |
| form | liquid |
| grade | puriss. p.a. |
| impurities | ≤0.0005% free acid (as CH3COOH) |
| ≤0.001% non-volatile matter | |
| ≤0.005% S-compounds (as S) | |
| ≤0.01% water (Karl Fischer) | |
| InChI | 1S/C8H18/c1-7(2)6-8(3,4)5 |
| InChI key | NHTMVDHEPJAVLT-UHFFFAOYSA |
| mp | −107 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| SMILES string | CC(C)CC(C)(C)C |
| vapor density | 3.9 (vs air) |
| vapor pressure | 41 mmHg ( 21 °C) |
| 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. |
| 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. |
| Other Notes: | Pertains only in Germany: unversteuert |
| 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. |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H410 |
| Precautionary statements | P210 - P273 - P301 + P310 + P331 - P302 + P352 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN1262 - class 3 - PG 2 - Octanes |
| WGK Germany | WGK 2 |
| Flash Point(F) | 10.4 °F - closed cup |
| Flash Point(C) | -12 °C - closed cup |
| Purity | ≥99.5% (GC) |
| bp | 98-99 °C (lit.) |
| mp | −107 °C (lit.) |
| Density | 0.692 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352300 |