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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:
107-83-5
Molecular Weight:
86.18
Beilstein:
1730735
EC Number:
203-523-4
MDL number:
MFCD00009406
UNSPSC Code:
41116107
PubChem Substance ID:
329760793
NACRES:
NA.24

grade

analytical standard

Quality Level

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 (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.

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Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H411

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

WGK

WGK 2

Flash Point(F)

19.4 °F

Flash Point(C)

-7 °C

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection.
Vichi, et al.
Journal of Chromatography A, 983(1-2), 19-33 (2003)
Determination of volatile organic compounds in different microenvironments by multibed adsorption and short-path thermal desorption followed by gas chromatographic-mass spectrometric analysis.
Kuntasal, et al.
Journal of Chromatography A, 1099(1-2), 43-54 (2005)
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