2-Methoxyethyl ether - PureSpectra™, Spectrum pure , CAS No.111-96-6

CAS: 111-96-6 Cat. No.: M104422 分子式: C₆H₁₄O₃ 分子量: 134.17 Beilstein Registry Number: 1736101 EC番号: 203-924-4

GRADE & PURITY PureSpectra™, Spectrum pure

Synonyms

bis(2methoxyethyl)ether | Bis(2-methoxyethyl)ether | 2,2'-oxybis(1-methoxyethane) | 2-methyoxyethyl ether | Diethylene glycol dimethyl ether stabilized with 100ppm BHT | NSC 59726 | Di(2-Methoxyethyl) ether | Diethylene Glycol Dimethyl Ether(Diglyme) | Di

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

bis(2methoxyethyl)ether | Bis(2-methoxyethyl)ether | 2,2'-oxybis(1-methoxyethane) | 2-methyoxyethyl ether | Diethylene glycol dimethyl ether stabilized with 100ppm BHT | NSC 59726 | Di(2-Methoxyethyl) ether | Diethylene Glycol Dimethyl Ether(Diglyme) | Di

仕様と純度

PureSpectra™, Spectrum pure

保管条件

Room temperature,Argon charged

入荷

Normal

等級

PureSpectra™, Spectrum pure

名前と識別子

パブケム・シド

508812038

カノニカル・スマイル

COCCOCCOC

IUPAC Name

1-methoxy-2-(2-methoxyethoxy)ethane

InChIKey

SBZXBUIDTXKZTM-UHFFFAOYSA-N

INCHI

1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3

異性体SMILES

COCCOCCOC

WGKドイツ

1

RTECS

KN3339000

UN番号

3271

包装グループ

III

分子量

134.17

Beilstein

1736101

Reaxy-Rn

1736101

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736101&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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: polyether

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

化学的性質と物理的性質

• 溶解度: Miscible with water, ethanol, acetone, acetic acid, glycerine, pyridine and aldehydes. Slightly miscible with ether.
• 感度: Moisture & Air sensitive
• 屈折率: 1.4097
• 引火点（°C）: 50℃
• 沸点（°C）: 162°C
• 融点（°C）: -68°C
• 分子量: 134.170 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 134.094 Da
• Monoisotopic Mass: 134.094 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 41.600
• 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