n-Hexane - HPLC grade, ≥98%(GC) , CAS No.110-54-3

CAS: 110-54-3 Cat. No.: H100107 Formula: C₆H₁₄ Molecular Weight: 86.18 Beilstein Registry Number: 1730733 EC Number: 203-777-6

GRADE & PURITY HPLC grade, ≥98%(GC)

Synonyms

Heksan | Normal hexane | Skellysolve B | n-Hexane | Dipropyl | Esani | normal-hexane | Gettysolve-B | Hexyl hydride | Hexanen | hexan | hexane

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Overview

N-Hexane is a non-polar solvent.
A non-polar solvent.

Specifications

Synonyms

Heksan | Normal hexane | Skellysolve B | n-Hexane | Dipropyl | Esani | normal-hexane | Gettysolve-B | Hexyl hydride | Hexanen | hexan | hexane

Specifications & Purity

HPLC grade, ≥98%(GC)

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

HPLC grade

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

508813806

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813806

Canonical Smiles

CCCCCC

IUPAC Name

hexane

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

Isomeric SMILES

CCCCCC

WGK Germany

2

RTECS

MN9275000

UN Number

1208

Packing Group

II

Molecular Weight

86.18

Beilstein

1730733

Reaxy-Rn

1730733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

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

Associated Targets(Human)

HL-60 (67320 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Degree of Solubility in water: 0.013 g/l 20 °C; Miscible with Alcohol,Chloroform,Ether; Soluble in Acetone
• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.375
• x_flash_point_drop_fahrenheit: -8°F
• x_flash_point_drop_centigrade: -22℃
• x_boil_point_char: 69°C
• x_melt_point_char: -95°C(lit.)
• Molecular Weight: 86.180 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• 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: 12.000
• 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