2-(Hydroxymethyl)-12-crown 4-Ether - ≥95%(GC) , CAS No.75507-26-5

CAS: 75507-26-5 Cat. No.: H157004 Summenformel: C₉H₁₈O₅ Molekulargewicht: 206.24 Beilstein Registry Number: 4661970 EG-Nummer: 278-224-5

GRADE & PURITY ≥95%(GC)

Synonyms

2-(Hydroxymethyl)-1,2-crown 4-ether | (1,4,7,10-Tetraoxacyclododecan-2-yl)methanol | 1,4,7,10-Tetraoxacyclododecan-2-methanol | 1,4,7,10-tetraoxacyclododec-2-ylmethanol | NJIPEIQHUNDGPY-UHFFFAOYSA-N | 2-Hydroxymethyl-12-crown-4, 95% | 2-(Hydroxymethyl)-12

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

2-Hydroxymethyl-12-crown-4 can be used: To prepare an ester of lasalocid with crown ether to study its complex formation with monovalent cations. To prepare hydrogel adsorbents for potential usage in the recovery of lithium-ions from seawater. As a starting material in the synthesis of metal-free phthalocyanines and metallophthalocyanines.

Specifications

Synonyme

2-(Hydroxymethyl)-1,2-crown 4-ether | (1,4,7,10-Tetraoxacyclododecan-2-yl)methanol | 1,4,7,10-Tetraoxacyclododecan-2-methanol | 1,4,7,10-tetraoxacyclododec-2-ylmethanol | NJIPEIQHUNDGPY-UHFFFAOYSA-N | 2-Hydroxymethyl-12-crown-4, 95% | 2-(Hydroxymethyl)-12

Spezifikationen & Reinheit

≥95%(GC)

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 488192354
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192354
• Kanonisches Lächeln: C1COCCOC(COCCO1)CO
• IUPAC Name: 1,4,7,10-tetraoxacyclododec-2-ylmethanol
• InChIKey: NJIPEIQHUNDGPY-UHFFFAOYSA-N
• INCHI: 1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
• Isomere SMILES: C1COCCOC(COCCO1)CO
• WGK Deutschland: 3
• Molekulargewicht: 206.24
• Beilstein: 4661970
• Reaxy-Rn: 4661968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4661968&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible in water. Soluble in non-polar solvents. Insoluble in water.
• Empfindlichkeit: Light sensitive；air sensitive
• Brechungsindex: n20/D 1.480
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 115 °C/0.04 mmHg
• Molekulargewicht: 206.240 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 206.115 Da
• Monoisotopic Mass: 206.115 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1