2-(Hydroxymethyl)-15-crown 5-Ether - ≥96%(GC) , CAS No.75507-25-4

CAS: 75507-25-4 Cat. No.: H157005 Fórmula: C₁₁H₂₂O₆ Peso molecular: 250.29 Beilstein Registry Number: 3589710 Número EC: 278-222-4

CALIDAD & PUREZA ≥96%(GC)

Synonyms

DTXSID40996978 | FT-0608816 | 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol | 2-(Hydroxymethyl)-15-crown 5-Ether | H0983 | AS-58791 | EINECS 278-222-4 | 1,4,7,10,13-pentaoxacyclopentadec-2-yl-methanol | (1,4,7,10,13-Pentaoxacyclopentadecan-2-yl)methanol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Application

2-Hydroxymethyl-15-crown-5 is used for chemical research.

Especificaciones

Sinónimos

DTXSID40996978 | FT-0608816 | 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol | 2-(Hydroxymethyl)-15-crown 5-Ether | H0983 | AS-58791 | EINECS 278-222-4 | 1,4,7,10,13-pentaoxacyclopentadec-2-yl-methanol | (1,4,7,10,13-Pentaoxacyclopentadecan-2-yl)methanol

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

Pubchem Sid

488192431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192431

Sonrisas canónicas

C1COCCOCC(OCCOCCO1)CO

IUPAC Name

1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol

InChIKey

YHIQMMGCRYKJLB-UHFFFAOYSA-N

INCHI

1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2

Isómeros SMILES

C1COCCOCC(OCCOCCO1)CO

WGK Alemania

3

Peso molecular

250.29

Beilstein

3589710

Reaxy-Rn

3589706

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3589706&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: Soluble in water(58 g/L) (25°C).
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 107 °C/0.04 mmHg
• Peso molecular: 250.290 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 250.142 Da
• Monoisotopic Mass: 250.142 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 166.000
• 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