68310

2-Methylpentane

≥99.5% (GC), analytical standard, suitable for gas chromatography (GC) and HPLC

• Synonym(s): Isohexane
• Linear Formula: CH₃CH₂CH₂CH(CH₃)₂
• CAS Number: 107-83-5
• Molecular Weight: 86.18
• NACRES: NA.24
• PubChem Substance ID: 329760793
• UNSPSC Code: 41116107
• EC Number: 203-523-4
• MDL number: MFCD00009406
• Beilstein/REAXYS Number: 1730735

Properties

• Product Name: 2-Methylpentane, analytical standard
• grade: analytical standard
• Quality Segment: 100
• vapor density: 3 (vs air)
• vapor pressure: 6.77 psi ( 37.7 °C)
• assay: ≥99.5% (GC)
• autoignition temp.: 583 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 7 %
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• refractive index: n20/D 1.371
• bp: 62 °C (lit.)
• mp: −154 °C (lit.)
• density: 0.653 g/mL at 25 °C (lit.)
• application(s): petroleum
• format: neat
• SMILES string: CCCC(C)C
• InChI: 1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
• InChI key: AFABGHUZZDYHJO-UHFFFAOYSA-N

Description

General description

2-Methylpentane is a type of branched alkane classified under the volatile organic compounds (VOCs) family of chemicals.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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.

Other Notes

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.

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H411
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 19.4 °F - closed cup
• flash_point_c: -7 °C - closed cup