2-Ethoxyethyl ether - HPLC grade, ≥99% , CAS No.112-36-7

CAS: 112-36-7 Cat. No.: E100703 Molecular Weight: 162.23 Beilstein Registry Number: 1699259 EC Number: 203-963-7

GRADE & PURITY HPLC grade, ≥99%

Synonyms

Diethyl ene glycol diethyl ether | diethoxydiglycol | MFCD00009254 | 1,1'-oxybis(2-ethoxyethane) | NCGC00255128-01 | HISOLVE EDE | Diethyldiethylene glycol | DIETHYLENE GLYCOL DIETHYL ETHER [HSDB] | 1,5-diethoxy-3-oxapentane | DEGDEE | AKOS015915322 | 1-E

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Diethyl ene glycol diethyl ether | diethoxydiglycol | MFCD00009254 | 1, 1'-oxybis(2-ethoxyethane) | NCGC00255128-01 | HISOLVE EDE | Diethyldiethylene glycol | DIETHYLENE GLYCOL DIETHYL ETHER [HSDB] | 1, 5-diethoxy-3-oxapentane | DEGDEE | AKOS015915322 | 1-E

Specifications & Purity

HPLC grade, ≥99%

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

HPLC grade

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751616
• Canonical Smiles: CCOCCOCCOCC
• IUPAC Name: 1-ethoxy-2-(2-ethoxyethoxy)ethane
• InChIKey: RRQYJINTUHWNHW-UHFFFAOYSA-N
• INCHI: 1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
• Isomeric SMILES: CCOCCOCCOCC
• WGK Germany: 2
• RTECS: KN3160000
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 162.23
• Beilstein: 1699259
• Reaxy-Rn: 1699259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699259&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.4115
• Flash Point(°F): 159.8 ℉
• Flash Point(°C): 71℃
• Boil Point(°C): 188°C
• Melt Point(°C): -44°C(lit.)
• Molecular Weight: 162.230 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 162.126 Da
• Monoisotopic Mass: 162.126 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 58.400
• 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

References

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