Dibutyl ether - Ultra dry,≥99%,water≤30 ppm , CAS No.142-96-1

CAS: 142-96-1 Cat. No.: B1521187 Fórmula: C₈H₁₈O Peso molecular: 130.23 Beilstein Registry Number: 1732752 Número CE: 205-575-3

GRADE & PURITY Ultra dry, ≥99%, water≤30 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Especificações e pureza

Ultra dry,≥99%,water≤30 ppm

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Ultra dry

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CCCCOCCCC
• IUPAC Name: 1-butoxybutane
• InChIKey: DURPTKYDGMDSBL-UHFFFAOYSA-N
• INCHI: 1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
• SMILES isoméricas: CCCCOCCCC
• WGK Alemanha: 2
• RTECS: EK5425000
• Número UN: 1149
• Grupo de embalagem: III
• Peso molecular: 130.23
• Beilstein: 1732752
• Reaxy-Rn: 1732752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732752&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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.3992
• Ponto de inflamação (°F): 77 °F
• Ponto de inflamação (°C): （closed cup）37℃
• Ponto de ebulição (°C): 142-143°C
• Ponto de fusão (°C): -98°C
• Peso molecular: 130.229 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 37.800
• 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

Referências

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