2-Methylpentane
SIAL/68310 - analytical standard
Synonym: ‘Isohexane’
CAS Number: 107-83-5
Empirical Formula (Hill Notation): C6H14
Molecular Weight: 86.18
EC Number: 203-523-4
MDL Number: MFCD00009406
Linear Formula: CH3CH2CH2CH(CH3)2
Product Type: Chemical
| application(s) | petroleum |
| assay | ≥99.5% (GC) |
| autoignition temp. | 583 °F |
| bp | 62 °C (lit.) |
| density | 0.653 g/mL at 25 °C (lit.) |
| expl. lim. | 7 % |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C6H14/c1-4-5-6(2)3/h6H |
| InChI key | AFABGHUZZDYHJO-UHFFFAOYSA |
| mp | −154 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCC(C)C |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 3 (vs air) |
| vapor pressure | 6.77 psi ( 37.7 °C) |
| Application: | 2-Methylpentane has been used as a reference standard for the determination of 2-methylpentane as odor marker of lung cancer in human breath samples by gas chromatography-time of flight mass spectrometry (GC-TOF MS). It may be used as a reference standard for the determination of 2-methylpentane in virgin olive oil samples by headspace solid-phase microextraction (SPME) followed by analysis using GC-MS coupled to flame ionization detector (FID), in different microenvironments by multibed adsorption and short-path thermal desorption followed by GC-MS and in exhaled air of patients with non-small cells lung cancer (NSCLC) by GC-MS. |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | 2-Methylpentane is a type of branched alkane classified under the volatile organic compounds (VOCs) family of chemicals. |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H411 |
| Precautionary statements | P210 - P273 - P301 + P310 + P331 - P302 + P352 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-51/53-65-67 |
| Safety Statements | 9-16-29-33-61-62 |
| RIDADR | UN1208 - class 3 - PG 2 - Hexanes |
| WGK Germany | WGK 2 |
| Flash Point(F) | 19.4 °F - closed cup |
| Flash Point(C) | -7 °C - closed cup |
| Purity | ≥99.5% (GC) |
| bp | 62 °C (lit.) |
| mp | −154 °C (lit.) |
| Density | 0.653 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |