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. |
| Recommended products: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| 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 |