cis-Cyclooctene - ≥95%, contains 100-200 ppm Irganox 1076 FD as antioxidant , CAS No.931-87-3

CAS: 931-87-3 Cat. No.: C434589 Molecular Weight: 110.2 EC Number: 213-243-4

GRADE & PURITY ≥95%, contains 100-200 ppm Irganox 1076 FD as antioxidant

Synonyms

Cyclooctene 100 microg/mL in Acetonitrile | MFCD00001753 | CYCLOOCTENE | AE340T3540 | Cyclooctene, analytical standard | cis-Cyclooctene | cis-Cyclooctene, 95%, stab. with IRGANOX 1076 | cis-Cyclooctene, contains 100-200 ppm Irganox 1076 FD as antioxidant

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

cis -Cyclooctene undergoes addition reaction with carbon tetrachloride catalyzed by dichloro tris (triphenylphosphine) ruthenium(II) to yield 1-chloro-4-(trichloromethyl) cyclooctane (1,4-adduct). It undergoes epoxidation catalyzed by molybdenum oxide nanoparticles incorporated in a mesoporous silica shell coated on dense silica-coated magnetite nanoparticles.

Application

cis -Cyclooctene has been used to study the alkenes chemisorbed on silicon(100) by scanning tunneling microscopy.

Other Notes

Contains cyclooctane

Specifications

Synonyms

Cyclooctene 100 microg/mL in Acetonitrile | MFCD00001753 | CYCLOOCTENE | AE340T3540 | Cyclooctene, analytical standard | cis-Cyclooctene | cis-Cyclooctene, 95%, stab. with IRGANOX 1076 | cis-Cyclooctene, contains 100-200 ppm Irganox 1076 FD as antioxidant

Specifications & Purity

≥95%, contains 100-200 ppm Irganox 1076 FD as antioxidant

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCCC=CCC1
• IUPAC Name: cyclooctene
• InChIKey: URYYVOIYTNXXBN-UPHRSURJSA-N
• INCHI: 1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-
• Isomeric SMILES: C1CCC/C=C\CC1
• WGK Germany: 2
• Alternate CAS: 931-88-4
• UN Number: 3295
• Packing Group: III
• Molecular Weight: 110.2
• Reaxy-Rn: 8478022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8478022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• 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

• Solubility: H2O: insoluble
• Refractive Index: 1.4700
• Flash Point(°F): 77 °F
• Flash Point(°C): 25 °C
• Boil Point(°C): 145-146°C
• Melt Point(°C): -16°C
• Molecular Weight: 110.200 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 110.11 Da
• Monoisotopic Mass: 110.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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