2,5-Dimethoxytetrahydrofuran - ≥95% , CAS No.696-59-3

CAS: 696-59-3 Cat. No.: D418695 Molecular Weight: 132.16 Beilstein Registry Number: 104261 EC Number: 211-797-1

GRADE & PURITY ≥95%

Synonyms

2,5-Dimethoxytetrahydrofuran|696-59-3|Tetrahydro-2,5-dimethoxyfuran|2,5-dimethoxyoxolane|Furan, tetrahydro-2,5-dimethoxy-|Dimethoxytetrahydrofuran|2.5-dimethoxytetrahydrofuran|C6H12O3|2,5 dimethoxy tetrahydrofuran|2,5-dimethoxy-tetrahydrofuran|2,5-Bis(met

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 5-Dimethoxytetrahydrofuran | 696-59-3 | Tetrahydro-2, 5-dimethoxyfuran | 2, 5-dimethoxyoxolane | Furan, tetrahydro-2, 5-dimethoxy- | Dimethoxytetrahydrofuran | 2.5-dimethoxytetrahydrofuran | C6H12O3 | 2, 5 dimethoxy tetrahydrofuran | 2, 5-dimethoxy-tetrahydrofuran | 2, 5-Bis(met

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755344
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755344
• Canonical Smiles: COC1CCC(O1)OC
• IUPAC Name: 2,5-dimethoxyoxolane
• InChIKey: GFISDBXSWQMOND-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
• Isomeric SMILES: COC1CCC(O1)OC
• WGK Germany: 1
• UN Number: 1993
• Molecular Weight: 132.16
• Beilstein: 104261
• Reaxy-Rn: 104261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104261&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Chemical and Physical Properties

• Solubility: Miscible with methanol, diethyl ether and tetrahydrofuran. Immiscible with water.
• Sensitivity: Air & Moisture & Heat & Light sensitive
• Refractive Index: 1.4160 - 1.4190
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 35℃
• Boil Point(°C): 146°C
• Melt Point(°C): -45°C
• Molecular Weight: 132.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Lihuan Xu, Fang Yang, Chang Su, Lvlv Ji, Cheng Zhang.  (2014)  Synthesis and properties of novel TEMPO-contained polypyrrole derivatives as the cathode material of organic radical battery.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2014.03.017]

2. Zhihong Zhang, Guijuan Li, Fufeng Yan, Zhonghou Zhang, Shaoming Fang.  (2012)  Highly Sensitive Functionalized Conducting Copolypyrrole Film for DNA Sensing and Protein-resistant.  CHINESE JOURNAL OF CHEMISTRY,  30  (2): (259-266).  [PMID:] [10.1002/cjoc.201100078]

3. Zhijiao Huang, Yong Liu, Lungang Chen, Xinghua Zhang, Jianguo Liu, Chenguang Wang, Qi Zhang, Longlong Ma.  (2024)  Selective hydrodeoxygenation of 5-hydromethylfurfural to 2,5-dimethylfuran over PtFe/C catalyst.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114169]