n-Hexane - PureSpectra™,For spectroscopy UV-VIS , CAS No.110-54-3

CAS: 110-54-3 Cat. No.: N431441 Formula: C₆H₁₄ Molecular Weight: 86.18 Beilstein Registry Number: 1730733 EC Number: 203-777-6

GRADE & PURITY PureSpectra™, For spectroscopy UV-VIS

Synonyms

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

General Description

Accurate analytic results in UV/VIS and infrared spectroscopy depend on the use of very pure solvents for sample preparation. The Uvasol solvents range has been specially designed for spectroscopy and other applications requiring solvents of the highest spectral purity. The refinement process allows a greater degree of security in applications and avoids misinterpretation of analytical results caused by traces of UV, IR and fluorescence contamination. Uvasol solvents offer best UV transmittance. In all specifications the minimum transmittance for 5 typical wavelengths are identified.

Specifications

Synonyms

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

Specifications & Purity

PureSpectra™,For spectroscopy UV-VIS

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

For spectroscopy UV-VIS, PureSpectra™

Names and Identifiers

Pubchem Sid

504751560

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751560

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

• Refractive Index: 1.375
• Flash Point(°F): -8°F
• Flash Point(°C): -22℃
• Boil Point(°C): 69°C
• Melt Point(°C): -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

Frequently Asked Questions

What does PureSpectra? mean?

PureSpectra? indicates that the chemical has been purified and tested specifically for use in general spectroscopic analysis. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. PureSpectra? is used for mobile phases, sample preparation and analytical standards in this workflow.

What does For spectroscopy UV-VIS mean?

For spectroscopy UV-VIS indicates that the chemical has been purified and tested specifically for use in UV-visible and fluorescence spectroscopy. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. For spectroscopy UV-VIS is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 110-54-3, the molecular formula is C6H14, and the molecular weight is 86.18 g/mol. InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.