12-Crown-4 - ≥98% , CAS No.294-93-9

CAS: 294-93-9 Cat. No.: C102036 Formula: C₈H₁₆O₄ Molecular Weight: 176.21 Beilstein Registry Number: 1363064 EC Number: 206-036-5

GRADE & PURITY ≥98%

Synonyms

EOCT | 12-crown-4-ether | CCRIS 157 | D89315 | FT-0607231 | CHEBI:32399 | SCHEMBL236725 | 1,4,7,10-TETRAOXACYCLODODECANE | 1,4,7,10-tetraoxacyclo-dodecane | 1,4,7,10tetraoxa-Cyclododecane | K6069P2C2A | LS-13523 | MFCD00005103 | 5-19-11-00334 (Beilstein H

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

12-Crown-4 is a Phase transfer catalyst, complexing-agent for lithium. Aprotic "solvent" for alkali metals, the sodium solution is a strong reducing agent.
An aprotic "solvent" for alkali metals, the sodium solution is a strong reducing agent

Specifications

Synonyms

EOCT | 12-crown-4-ether | CCRIS 157 | D89315 | FT-0607231 | CHEBI:32399 | SCHEMBL236725 | 1,4,7,10-TETRAOXACYCLODODECANE | 1,4,7,10-tetraoxacyclo-dodecane | 1,4,7,10tetraoxa-Cyclododecane | K6069P2C2A | LS-13523 | MFCD00005103 | 5-19-11-00334 (Beilstein H

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751814
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751814
• Canonical Smiles: C1COCCOCCOCCO1
• IUPAC Name: 1,4,7,10-tetraoxacyclododecane
• InChIKey: XQQZRZQVBFHBHL-UHFFFAOYSA-N
• INCHI: 1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
• Isomeric SMILES: C1COCCOCCOCCO1
• WGK Germany: 3
• RTECS: XF0550000
• UN Number: 2810
• Molecular Weight: 176.21
• Beilstein: 1363064
• Reaxy-Rn: 1363064
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363064&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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Fully miscible in water.
• Sensitivity: Air sensitive.Light Sensitive
• Freezing Point(°C): 17 °C
• Refractive Index: 1.462-1.463
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 61-70°C/0.5mmHg
• Melt Point(°C): 16°C
• Molecular Weight: 176.210 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 65.099
• 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