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

CAS: 75507-26-5 Cat. No.: H157004 Fórmula: C₉H₁₈O₅ Peso molecular: 206.24 Beilstein Registry Number: 4661970 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488192354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192354

Sonrisas canónicas

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

Isómeros SMILES

C1COCCOC(COCCO1)CO

WGK Alemania

3

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Miscible in water. Soluble in non-polar solvents. Insoluble in water.
• Sensibilidad: Light sensitive；air sensitive
• Índice de refracción: n20/D 1.480
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 115 °C/0.04 mmHg
• Peso molecular: 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