68310
2-Methylpentane
≥99.5% (GC), analytical standard, suitable for gas chromatography (GC) and HPLC
Synonym(s):
Isohexane
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About This Item
Linear Formula:
CH3CH2CH2CH(CH3)2
CAS Number:
Molecular Weight:
86.18
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
203-523-4
MDL number:
Beilstein/REAXYS Number:
1730735
Product Name
2-Methylpentane, analytical standard
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
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
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.
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signalword
Danger
hcodes
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
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Identification of volatile lung cancer markers by gas chromatography-mass spectrometry: comparison with discrimination by canines.
Buszewski B, et al.
Analytical and Bioanalytical Chemistry, 404(1), 141-146 (2012)
Exhaled volatile organic compounds in patients with non-small cell lung cancer: cross sectional and nested short-term follow-up study.
Diana P, et al.
Respiratory Research, 6(1), 71-71 (2005)
TD-GC-MS analysis of volatile metabolites of human lung cancer and normal cells in vitro.
Filipiak W, et al.
Cancer Epidemiology, Biomarkers & Prevention, 19(1), 182-195 (2010)