3,4-Epoxytetrahydrofuran - ≥95% , CAS No.285-69-8

CAS: 285-69-8 Cat. No.: E616368 Molecular Weight: 86.09 Beilstein Registry Number: 19(5)1,185 EC Number: 206-006-1

GRADE & PURITY ≥95%

Synonyms

AKOS005260019 | SY018458 | 3,4-Epoxytetrahydrofuran, AldrichCPR | 3,6-Dioxabicyclo[3.1.0]hexane | E0795 | BCP26923 | NSC196231 | NSC-196231 | EN300-39211 | 3,4-Epoxytetrahydrofuran | 3,4-epoxy-tetrahydrofuran | 3,6-dioxabicyclo [3.1.0]hexane | 3,6-Dioxabi

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS005260019 | SY018458 | 3, 4-Epoxytetrahydrofuran, AldrichCPR | 3, 6-Dioxabicyclo[3.1.0]hexane | E0795 | BCP26923 | NSC196231 | NSC-196231 | EN300-39211 | 3, 4-Epoxytetrahydrofuran | 3, 4-epoxy-tetrahydrofuran | 3, 6-dioxabicyclo [3.1.0]hexane | 3, 6-Dioxabi

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C2C(O2)CO1
• IUPAC Name: 3,6-dioxabicyclo[3.1.0]hexane
• InChIKey: AIUTZIYTEUMXGG-UHFFFAOYSA-N
• INCHI: 1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2
• Isomeric SMILES: C1C2C(O2)CO1
• UN Number: 1993
• Molecular Weight: 86.09
• Beilstein: 19(5)1,185
• Reaxy-Rn: 102673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Tetrahydrofurans Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Para-dioxane - Tetrahydrofuran - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.44
• Boil Point(°C): 144°C
• Molecular Weight: 86.090 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0368 Da
• Monoisotopic Mass: 86.0368 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 63.900
• 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. Zhou Jie, Yu Wen-Wang, Meng Xiang-Guang, Li Wen, Chu Dan-Dan.  (2025)  Imidazolium-Based Deep Eutectic Solvents Catalyzed Cycloaddition Reaction of Epoxide with CO2 in Simulated Flue Gas.  CATALYSIS LETTERS,  155  (10): (1-11).  [PMID:] [10.1007/s10562-025-05174-7]