3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate（EEC） - ≥97% , CAS No.2386-87-0

CAS: 2386-87-0 Cat. No.: E103015 Molecular Weight: 252.31 EC Number: 219-207-4

GRADE & PURITY ≥97%

Synonyms

Chissonox 221 monomer | 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate | UT-632 | 7-Oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate | ERL-4221 | 2386-87-0

Storage

Room temperature

Shipped In

Normal

Overview

3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate (EEC) is a chemical compound that belongs to the class of cycloaliphatic epoxy resins. It is commonly used as a reactive diluent or a cross-linking agent in the formulation of epoxy-based materials, such as coatings, adhesives, and composites.
It can be synthesized by the reaction of 3′-cyclohexenylmethyl 3-cyclohexenecarboxylate with peracetic acid. Its aliphatic backbone and molecular structure provide a number of useful properties such as thermal stability, weatherability, and electrical conductivity.

Specifications

Synonyms

Chissonox 221 monomer | 3, 4-Epoxycyclohexylmethyl 3, 4-epoxycyclohexane carboxylate | UT-632 | 7-Oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate | ERL-4221 | 2386-87-0

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182318
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182318
• Canonical Smiles: C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4
• IUPAC Name: 7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
• InChIKey: YXALYBMHAYZKAP-UHFFFAOYSA-N
• INCHI: 1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2
• Isomeric SMILES: C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4
• WGK Germany: 1
• RTECS: RN7750000
• Molecular Weight: 252.31
• Reaxy-Rn: 1381750
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1381750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.498
• Flash Point(°C): 118°C
• Melt Point(°C): -37°C
• Molecular Weight: 252.310 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 252.136 Da
• Monoisotopic Mass: 252.136 Da
• Topological Polar Surface Area: 51.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• 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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