2-(Hydroxymethyl)-18-crown 6-Ether - ≥93% , CAS No.70069-04-4

CAS: 70069-04-4 Cat. No.: H157006 Summenformel: C₁₃H₂₆O₇ Molekulargewicht: 294.34 Beilstein Registry Number: 4313300 EG-Nummer: 274-299-3

GRADE & PURITY ≥93%

Synonyms

DTXSID50990306 | 2-Hydroxymethyl-18-crown-6 | 2-Hydroxymethyl-18-crown-6, 95% | HFRGASADQCZXHH-UHFFFAOYSA-N | 18-Crown-6-methanol, 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanol | 2-(Hydroxymethyl)-18-crown 6-Ether | EINECS 274-299-3 | (Hydroxymethyl)-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

DTXSID50990306 | 2-Hydroxymethyl-18-crown-6 | 2-Hydroxymethyl-18-crown-6, 95% | HFRGASADQCZXHH-UHFFFAOYSA-N | 18-Crown-6-methanol, 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanol | 2-(Hydroxymethyl)-18-crown 6-Ether | EINECS 274-299-3 | (Hydroxymethyl)-1

Spezifikationen & Reinheit

≥93%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥93%

Namen und Kennungen

Pubchem Sid

528756139

Kanonisches Lächeln

C1COCCOCCOC(COCCOCCO1)CO

IUPAC Name

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol

InChIKey

HFRGASADQCZXHH-UHFFFAOYSA-N

INCHI

1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2

Isomere SMILES

C1COCCOCCOC(COCCOCCO1)CO

WGK Deutschland

3

Molekulargewicht

294.34

Beilstein

4313300

Reaxy-Rn

4313301

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4313301&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: Soluble in water (1000 g/L) (25°C).
• Brechungsindex: 1.48
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 208°C(lit.)
• Molekulargewicht: 294.340 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 294.168 Da
• Monoisotopic Mass: 294.168 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 203.000
• 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