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

CAS: 75507-26-5 Cat. No.: H157004 Formule: C₉H₁₈O₅ Poids moléculaire: 206.24 Beilstein Registry Number: 4661970 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

488192354

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1COCCOC(COCCO1)CO

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Miscible in water. Soluble in non-polar solvents. Insoluble in water.
• Sensibilité: Light sensitive；air sensitive
• Indice de réfraction: n20/D 1.480
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 115 °C/0.04 mmHg
• Poids moléculaire: 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