Diethylene glycol dibutyl ether - ≥99% , CAS No.112-73-2

CAS: 112-73-2 Cat. No.: D104427 Summenformel: C₁₂H₂₆O₃ Molekulargewicht: 218.33 Beilstein Registry Number: 1750713 EG-Nummer: 204-001-9

GRADE & PURITY ≥99%

Synonyms

Diethylene glycol dibutyl ether, >=99% | Ether, bis(butoxyethyl) | NCGC00091264-02 | InChI=1/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H | UNII-F8P3DHG73Z | Butex | Dibutylether diethylenglykolu | DIETHYLENE GLYCOL DIBUTYL ETHER | SCHEMBL27

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Diethylene glycol dibutyl ether, >=99% | Ether, bis(butoxyethyl) | NCGC00091264-02 | InChI=1/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H | UNII-F8P3DHG73Z | Butex | Dibutylether diethylenglykolu | DIETHYLENE GLYCOL DIBUTYL ETHER | SCHEMBL27

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504751629

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751629

Kanonisches Lächeln

CCCCOCCOCCOCCCC

IUPAC Name

1-[2-(2-butoxyethoxy)ethoxy]butane

InChIKey

KZVBBTZJMSWGTK-UHFFFAOYSA-N

INCHI

1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

Isomere SMILES

CCCCOCCOCCOCCCC

WGK Deutschland

3

RTECS

KN0350000

Molekulargewicht

218.33

Beilstein

1750713

Reaxy-Rn

1750713

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750713&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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with dimethyl sulfoxide, ethanol and acetone. Immiscible with water.
• Brechungsindex: 1.424
• Flammpunkt (°F): 244.4 °F
• Flammpunkt (°C): 118 °C
• Siedepunkt (°C): 256°C
• Schmelzpunkt (°C): -60°C
• Molekulargewicht: 218.330 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 218.188 Da
• Monoisotopic Mass: 218.188 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1