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

CAS: 70069-04-4 Cat. No.: H157006 Formula: C₁₃H₂₆O₇ Peso molecolare: 294.34 Beilstein Registry Number: 4313300 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥93%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥93%

Nomi e identificatori

Pubchem Sid

528756139

Sorrisi canonici

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

Isomeri SMILES

C1COCCOCCOC(COCCOCCO1)CO

WGK Germania

3

Peso molecolare

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
    • 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (1000 g/L) (25°C).
• Indice di rifrazione: 1.48
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 208°C(lit.)
• Peso molecolare: 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