2-methylpentane - analytical standard, ≥99.5%(GC) , CAS No.107-83-5

CAS: 107-83-5 Cat. No.: M105778 分子式: C₆H₁₄ 分子量: 86.17 Beilstein Registry Number: 1730735 EC番号: 203-523-4

グレード＆純度 Analytical standard, ≥99.5%(GC)

Synonyms

i-hexane|1,1-Dimethylbutane|2-METHYLPENTANE|2-Methyl-pentane|2-Methyl pentane|KYOWASOL C 600M|KYOWAZOL C 600|Methyl pentane|Hexanes, Environmental Grade|ASTM Method D5191 Vapor Pressure - 46.7 kPa (6.77 psi)|Isohexane|iso-hexane|2-Methylpentan|Pentane, 2-methyl-|SOLVENT DEGREASER|Dimethylpropylmethane

Storage

Room temperature

Shipped In

FedEx DG Service

概要

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.

仕様

同義語

i-hexane | 1,1-Dimethylbutane | 2-METHYLPENTANE | 2-Methyl-pentane | 2-Methyl pentane | KYOWASOL C 600M | KYOWAZOL C 600 | Methyl pentane | Hexanes, Environmental Grade | ASTM Method D5191 Vapor Pressure - 46.7 kPa (6.77 psi) | Isohexane | iso-hexane | 2-Methylpentan | Pentane, 2-methyl- | SOLVENT DEGREASER | Dimethylpropylmethane

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

508808452

カノニカル・スマイル

CCCC(C)C

IUPAC Name

2-methylpentane

InChIKey

AFABGHUZZDYHJO-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

異性体SMILES

CCCC(C)C

WGKドイツ

2

RTECS

SA2985000

UN番号

1208

包装グループ

II

分子量

86.17

Beilstein

1730735

Reaxy-Rn

1730735

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730735&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in most organic solvents such as ethanol, ether, benzene, etc.
• 屈折率: 1.379
• 引火点（°F）: -9.4℉
• 引火点（°C）: -23 ℃
• 沸点（°C）: 68-70 °C
• 融点（°C）: -95°C
• 分子量: 86.180 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 21.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1