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

CAS: 112-73-2 Cat. No.: D104427 Fórmula: C₁₂H₂₆O₃ Peso molecular: 218.33 Beilstein Registry Number: 1750713 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504751629

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

CCCCOCCOCCOCCCC

WGK Alemania

3

RTECS

KN0350000

Peso molecular

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
    • 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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic 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

Objetivos asociados (humanos)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with dimethyl sulfoxide, ethanol and acetone. Immiscible with water.
• Índice de refracción: 1.424
• Punto de inflamación (°F): 244.4 °F
• Punto de inflamación (°C): 118 °C
• Punto de ebullición (°C): 256°C
• Punto de fusión (°C): -60°C
• Peso molecular: 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