18-Crown-6 - for ion pair chromatography, ≥99%(GC) , CAS No.17455-13-9

CAS: 17455-13-9 Cat. No.: C124569 Formula: C₁₂H₂₄O₆ Molecular Weight: 264.32 EC Number: 241-473-5

GRADE & PURITY for Ion pair chromatography, ≥99%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

for ion pair chromatography, ≥99%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

for Ion pair chromatography

Purity

≥99%(GC)

Names and Identifiers

Pubchem Sid

504753385

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753385

Canonical Smiles

C1COCCOCCOCCOCCOCCO1

IUPAC Name

1,4,7,10,13,16-hexaoxacyclooctadecane

InChIKey

XEZNGIUYQVAUSS-UHFFFAOYSA-N

INCHI

1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

Isomeric SMILES

C1COCCOCCOCCOCCOCCO1

WGK Germany

3

RTECS

MP4500000

Molecular Weight

264.32

Reaxy-Rn

1619616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1619616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: saturated organic heteromonocyclic parent - crown ether

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)

MCF7 (126967 Activities)

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MIA PaCa-2 (5949 Activities)

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NCI-H460 (60772 Activities)

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HeLa (62764 Activities)

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Associated Targets(non-human)

Ttr Transthyretin (14 Activities)

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Bacillus subtilis (32866 Activities)

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Gallus gallus (1187 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 190°C/0.7mmHg
• Melt Point(°C): 38-41°C
• Molecular Weight: 264.310 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 264.157 Da
• Monoisotopic Mass: 264.157 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 108.000
• 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 is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What does for ion pair chromatography mean?

for ion pair chromatography indicates that the chemical has been purified and tested specifically for use in specialty chromatography techniques. 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 ion pair chromatography is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 17455-13-9, the molecular formula is C12H24O6, and the molecular weight is 264.32 g/mol. InChIKey XEZNGIUYQVAUSS-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.