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68310

Supelco

2-Methylpentane

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

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Synonym(s):
‘Isohexane’
Linear Formula:
CH3CH2CH2CH(CH3)2
CAS Number:
Molecular Weight:
86.18
Beilstein/REAXYS Number:
1730735
EC Number:
MDL number:
PubChem Substance ID:

grade

analytical standard

Quality Level

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 (lit.)
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

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General description

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

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

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.

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Danger

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_germany

WGK 2

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup


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