Hexane, mixture of isomers - ≥99% , CAS No.107-83-5

CAS: 107-83-5 Cat. No.: H661840 Molecular Weight: 86.17 Beilstein Registry Number: 1730735 EC Number: 203-523-4

GRADE & PURITY ≥99%

Synonyms

Isohexane, Hexanes

Storage

Room temperature,Argon charged

Shipped In

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Overview

Hexane, mixture of isomers is a non-renewable organic solvent mainly used for the dissolution and extraction of oils and fats.Hexane, mixture of isomers may be used as a carrier phase for microfluidic devices.

Specifications

Synonyms

Isohexane, Hexanes

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

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This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCC(C)C
• WGK Germany: 2
• RTECS: SA2985000
• UN Number: 1208
• Packing Group: II
• Molecular Weight: 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
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.379
• Flash Point(°F): -9.4℉
• Flash Point(°C): -23 ℃
• Boil Point(°C): 68-70 °C
• Melt Point(°C): -95°C
• Molecular Weight: 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

References

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